SCHEMBL7964566

SCHEMBL7964566

CC(C)(C)CCOCCO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 1/20 0.35
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14706369 0.97 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2639369 0.97 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL15222431 0.97 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL17971072 0.97 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL15222429 0.97 MEN1 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL133695 0.85 HRH3 (0.41) TSHRHRH3
SCHEMBL14190949 0.84 TSHR (0.54) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL12561571 0.84 TSHR (0.42) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL22703312 0.83 TSHR (0.43) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL19668069 0.82 TSHR (0.52) TSHRMAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346965-A1 ENEDIYNE CONJUGATES SYNAFFIX B.V. (NL) 2023-11-02 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-20230250237-A1 POLYORGANOSILOXANE, POLYORGANOSILOXANE COMPOSITION, CURED PRODUCT, POLYORGANOSILOXANE-CONTAINING ELECTROLYTIC SOLUTION FOR ELECTROLYTIC CAPACITOR, AND ELECTROLYTIC CAPACITOR USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2023-08-10 US disclosed
US-11667613-B2 Antiviral pyrazolopyridinone compounds NOVARTIS AG (CH) 2023-06-06 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2020-11-26 US disclosed
US-20180162829-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2018-06-14 US disclosed
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-20180117216-A1 MATERIALS WITH IMPROVED PROPERTIES MASSACHUSETTS INST TECHNOLOGY (US) 2018-05-03 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO 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 (9 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-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 TSHR 4221/4885MAPK1 76/4885MEN1 983/4885
US-20230346965-A1 ENEDIYNE CONJUGATES ENY2, ZYX, TPD52L2 TSHR 1632/4885MAPK1 3412/4885MEN1 888/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L TSHR 2473/4885MAPK1 3602/4885MEN1 1237/4885
US-11667613-B2 Antiviral pyrazolopyridinone compounds ZC3HAV1, TYMP, ZC3HAV1L TSHR 4170/4885MAPK1 1374/4885MEN1 1512/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 TSHR 3560/4885MAPK1 113/4885MEN1 1241/4885
US-20200369626-A1 COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF S1PR2, S1PR1, S1PR3 TSHR 537/4885MAPK1 3254/4885MEN1 599/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR TSHR 209/4885MAPK1 2194/4885MEN1 1041/4885
US-20180162829-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 TSHR 927/4885MAPK1 1994/4885MEN1 473/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L TSHR 2473/4885MAPK1 3602/4885MEN1 1237/4885

“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.