SCHEMBL5494094

SCHEMBL5494094

Cc1cccc(-c2n[nH]cc2-c2ccc(O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.56
MAPK14 Q16539 4/20 0.56
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
METAP2 P50579 1/20 0.39
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPK6 Q16659 1/20 0.38
CYP2A6 P11509 1/20 0.36

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
SCHEMBL5201354 0.89 TGFBR1 (0.46) TGFBR1MAPK14THRBALDH1A1POLB
SCHEMBL27648484 0.87 TGFBR1 (0.52) TGFBR1MAPK14CCR1CCR8METAP2
SCHEMBL5491962 0.86 TGFBR1 (0.56) TGFBR1MAPK14THRBHPGDCCR1
SCHEMBL12645997 0.84 TGFBR1 (0.61) TGFBR1MAPK14THRBCCR1CCR8
SCHEMBL5492614 0.80 TGFBR1 (0.58) TGFBR1MAPK14THRBCCR1CCR8
SCHEMBL28758711 0.79 TGFBR1 (0.45) TGFBR1MAPK14CCR1CCR8METAP2
SCHEMBL5200287 0.78 MEN1 (0.40) TGFBR1ALDH1A1POLBMAPTHPGD
SCHEMBL5138951 0.78 TGFBR1 (0.67) TGFBR1MAPK14
SCHEMBL27648474 0.77 METAP2 (0.39) TGFBR1MAPK14THRBCCR1CCR8
SCHEMBL5198226 0.77 TGFBR1 (0.46) TGFBR1MAPK14THRBCCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 US disclosed
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US disclosed
US-7276525-B2 Osteogenesis-promotion enhancer and method of screening the same NIPPON SHINYAKU CO. LTD. (JP) 2007-10-02 US disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US disclosed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO disclosed
US-20060183778-A1 Osteogenesis-promotion enhancer and method of screening the same JAPANESE FOUNDATION OF CANCER RESEARCH (JP) 2006-08-17 US disclosed
EP-1632249-A1 OSTEOGENESIS-PROMOTION ENHANCER AND METHOD OF SCREENING THE SAME Nippon Shinyaku Co., Ltd. (JP) 2006-03-08 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 (3 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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885

“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.