SCHEMBL4495503

SCHEMBL4495503

CCCCOCCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.43
HRH3 Q9Y5N1 3/20 0.42
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CES2 O00748 2/20 0.33
CES1 P23141 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1755590 0.97 TSHR (0.48) TSHRCYP3A4HRH3MEN1THRB
SCHEMBL2182488 0.92 HTT (0.48) TSHRCYP3A4HRH3MEN1THRB
SCHEMBL18503160 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL18503196 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL10136277 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL2280804 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL13488795 0.90 TSHR (0.41) TSHRCYP3A4HRH3MEN1THRB
SCHEMBL18503150 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL18503217 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT
SCHEMBL29332226 0.90 HTT (0.52) TSHRHRH3MEN1THRBHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239930-A1 FUNCTIONALIZED MALEIC ACID COPOLYMERS FOR ENHANCED BIOACTIVITY UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2024-07-18 US disclosed
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20180179522-A1 TUNABLE ENDOGENOUS PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-28 US disclosed
US-20180169109-A1 TARGETED PROTEIN DEGRADATION TO ATTENUATE ADOPTIVE T-CELL THERAPY ASSOCIATED ADVERSE INFLAMMATORY RESPONSES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-17 US disclosed
US-20180085465-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2018-03-29 US disclosed
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2012-02-16 US disclosed
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2011-07-21 US disclosed
US-7955816-B2 Design and synthesis of biotinylated probes for N-acyl-ethanolamines Universita Degli Studi Di Roma “Tor Vergata” (IT) 2011-06-07 US disclosed
US-7838536-B2 Water-soluble zinc ionophores, zinc chelators, and/or zinc complexes and use for treating cancer Sessler, Jonathan L. (US) 2010-11-23 US disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER Sessler, Jonathan L. (US) 2009-08-20 US disclosed
US-20090118342-A1 DESIGN AND SYNTHESIS OF BIOTINYLATED PROBES FOR N-ACYL-ETHANOLAMINES UNIVERSITA' DEGLI STUDI DI ROMA "TOR VERGATA" (IT) 2009-05-07 US disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180169109-A1 TARGETED PROTEIN DEGRADATION TO ATTENUATE ADOPTIVE T-CELL THERAPY ASSOCIATED ADVERSE INFLAMMATORY RESPONSES NFATC1, GZMB, ICOS TSHR 2403/4885CYP3A4 4348/4885HRH3 3509/4885
US-20180179522-A1 TUNABLE ENDOGENOUS PROTEIN DEGRADATION PSMG3, MYCBP, DBN1 TSHR 3165/4885CYP3A4 4629/4885HRH3 4117/4885
US-20090118342-A1 DESIGN AND SYNTHESIS OF BIOTINYLATED PROBES FOR N-ACYL-ETHANOLAMINES SLC27A2, SLC18A2, FAAH2 TSHR 2152/4885CYP3A4 1963/4885HRH3 335/4885
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR TSHR 9/4885CYP3A4 1949/4885HRH3 174/4885
US-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 TSHR 3600/4885CYP3A4 4514/4885HRH3 4672/4885
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DBN1, MYCBP, PSMG3 TSHR 3324/4885CYP3A4 4437/4885HRH3 4186/4885
US-20240239930-A1 FUNCTIONALIZED MALEIC ACID COPOLYMERS FOR ENHANCED BIOACTIVITY MDH2, ME1, DDAH1 TSHR 1900/4885CYP3A4 1231/4885HRH3 4/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TSHR 4461/4885CYP3A4 4589/4885HRH3 3512/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR TSHR 757/4885CYP3A4 659/4885HRH3 1020/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 TSHR 1595/4885CYP3A4 3274/4885HRH3 4130/4885
US-20180085465-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP TSHR 3028/4885CYP3A4 4762/4885HRH3 3634/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS TSHR 4307/4885CYP3A4 4819/4885HRH3 2661/4885
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 TSHR 1795/4885CYP3A4 4822/4885HRH3 2792/4885
US-20180134684-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP TSHR 3028/4885CYP3A4 4762/4885HRH3 3634/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 TSHR 1795/4885CYP3A4 4822/4885HRH3 2792/4885
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 TSHR 2371/4885CYP3A4 4741/4885HRH3 2271/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.