SCHEMBL477457

SCHEMBL477457

OC(c1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
EDNRA P25101 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.48
ALPG P10696 1/20 0.48
USP9X Q93008 1/20 0.48
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK9 P45984 1/20 0.46

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
SCHEMBL1599758 0.91 CYP3A4 (0.54) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL27675641 0.81 HSD17B10 (0.46) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4816680 0.80 KMT2A (0.63) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29180144 0.80 SMAD3 (0.50) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4824905 0.80 KMT2A (0.52) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7987319 0.79 MAPK1 (0.50) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL14554563 0.79 MAPK1 (0.51) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4825484 0.79 PTGS1 (0.58) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7898797 0.79 CYP3A4 (0.54) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL18626121 0.79 CYP3A4 (0.54) MAPK1CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2726458-B1 SYNTHESIS OF CLEISTANTHIN A AND DERIVATIVES THEREOF GODAVARI BIOREFINERIES LTD (IN) 2017-01-04 EP disclosed
US-8957230-B2 Synthesis of cleistanthin A and derivatives thereof GODAVARI BIOREFINERIES LIMITED (IN) 2015-02-17 US disclosed
EP-2726458-A2 SYNTHESIS OF CLEISTANTHIN A AN DERIVATIVES THEREOF Godavari Biorefineries Ltd. (IN) 2014-05-07 EP disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20130012727-A1 SYNTHESIS OF CLEISTANTHIN A AND DERIVATIVES THEREOF GODAVARI BIOREFINERIES LIMITED 2013-01-10 US disclosed
WO-2013001352-A2 SYNTHESIS OF CLEISTANTHIN A AN DERIVATIVES THEREOF GODAVARI BIOREFINERIES LIMITED (IN) 2013-01-03 WO disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
EP-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 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 (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-20130012727-A1 SYNTHESIS OF CLEISTANTHIN A AND DERIVATIVES THEREOF STT3A, DDOST, MAGT1 MAPK1 2393/4885CYP3A4 555/4885CYP1A2 541/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT MAPK1 2126/4885CYP3A4 15/4885CYP1A2 37/4885

“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.