SCHEMBL7836049

SCHEMBL7836049

Cc1cc(C(C)(C)C)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CASR P41180 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
HTR1D P28221 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3949636 0.85 ESR1 (0.54) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL24817396 0.83 TSHR (0.41) TSHRCASRPOLBMAPTHTR1D
SCHEMBL14900002 0.83 HDAC3 (0.42) TSHRCASRACHEHDAC3HDAC1
SCHEMBL799584 0.83 TSHR (0.44) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL828570 0.82 ALDH1A1 (0.46) TSHRALDH1A1HPGDALOX15HSD17B10
SCHEMBL19433290 0.81 CASR (0.40) TSHRCASRACHEHDAC3HDAC1
SCHEMBL12956711 0.81 CASR (0.40) TSHRCASRMEN1KMT2AACHE
SCHEMBL8257902 0.81 CASR (0.46) CASRMEN1KMT2AACHEHDAC3
SCHEMBL12936587 0.80 RAB9A (0.52) TSHRALDH1A1HPGDPOLBGAA
SCHEMBL476625 0.80 PDE2A (0.47) GAAMAPTACHEKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20230384677-A1 ONIUM SALT COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-30 US disclosed
US-20230384677-A1 ONIUM SALT COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-30 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-7176214-B2 Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US 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 (17 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TSHR 4364/4885ALDH1A1 3954/4885HPGD 1910/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 TSHR 3891/4885ALDH1A1 722/4885HPGD 963/4885
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 TSHR 1198/4885ALDH1A1 4017/4885HPGD 4695/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TSHR 3550/4885ALDH1A1 4709/4885HPGD 4116/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A TSHR 818/4885ALDH1A1 173/4885HPGD 547/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885ALDH1A1 2353/4885HPGD 2279/4885
US-20230384677-A1 ONIUM SALT COMPOUND, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS INSR, INSRR, SLC6A5 TSHR 72/4885ALDH1A1 4867/4885HPGD 4604/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885HPGD 1309/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 TSHR 97/4885ALDH1A1 3033/4885HPGD 1055/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 TSHR 1793/4885ALDH1A1 3140/4885HPGD 808/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 TSHR 692/4885ALDH1A1 2178/4885HPGD 3894/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 TSHR 3288/4885ALDH1A1 543/4885HPGD 1760/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG TSHR 2904/4885ALDH1A1 4279/4885HPGD 1764/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885HPGD 1309/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 TSHR 3195/4885ALDH1A1 4225/4885HPGD 1636/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 TSHR 4347/4885ALDH1A1 4226/4885HPGD 3143/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS TSHR 11/4885ALDH1A1 2149/4885HPGD 864/4885

“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.