SCHEMBL8941708

SCHEMBL8941708

Oc1ccccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
GCGR P47871 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
EPAS1 Q99814 1/20 0.43
STK39 Q9UEW8 1/20 0.43

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
SCHEMBL9589393 0.97 AR (0.51) ARTHRATHRBL3MBTL1GCGR
SCHEMBL9590802 0.97 AR (0.51) ARTHRATHRBL3MBTL1GCGR
SCHEMBL9589073 0.95 AR (0.53) ARTHRATHRBL3MBTL1GCGR
SCHEMBL28737745 0.87 L3MBTL1 (0.47) ARTHRATHRBL3MBTL1GCGR
SCHEMBL9589671 0.86 AR (0.53) ARTHRATHRBL3MBTL1NPSR1
SCHEMBL12732434 0.83 HDAC4 (0.50) ARCYP2C9CYP2C19GAAALDH1A1
SCHEMBL8969033 0.82 AR (0.49) ARTHRATHRBNPSR1MAPT
SCHEMBL5375024 0.81 AR (0.54) ARTHRBL3MBTL1NPSR1MAPT
SCHEMBL12732731 0.80 NPSR1 (0.50) THRATHRBL3MBTL1NPSR1MAPT
SCHEMBL9546468 0.80 L3MBTL1 (0.49) THRATHRBL3MBTL1NPSR1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
CN-114502540-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-13 CN disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO disclosed
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK AR 4444/4885THRA 2510/4885THRB 1224/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK AR 4444/4885THRA 2510/4885THRB 1224/4885

“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.