SCHEMBL3963406

SCHEMBL3963406

c1ccc(P(OCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNA3 P22001 1/20 0.36
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
LTA4H P09960 1/20 0.30
CALM1 P0DP23 1/20 0.30
IDO1 P14902 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL13761754 0.89 CA2 (0.41) CYP3A4TDP1ALDH1A1TSHRMAPK1
SCHEMBL1726314 0.85 LMNA (0.39) CYP3A4TDP1ESR1ESR2ALDH1A1
SCHEMBL685567 0.85 ALDH1A1 (0.46) CYP3A4TDP1KCNA3ESR1ESR2
SCHEMBL13379390 0.84 CYP3A4 (0.35) CYP3A4TDP1KCNA3
SCHEMBL13761755 0.83 CA2 (0.38) CYP3A4TDP1ALDH1A1TSHRKDM4E
SCHEMBL1726701 0.82 LTA4H (0.47) CYP3A4TDP1ALDH1A1TSHRMAPK1
SCHEMBL11729384 0.82 CA2 (0.37) CYP3A4TDP1TSHRMAPK1
SCHEMBL13379304 0.80 KCNA3 (0.32) CYP3A4TDP1KCNA3
SCHEMBL30492595 0.80 HTT (0.37) CYP3A4TDP1ALDH1A1MAPK1IDO1
SCHEMBL1726193 0.80 LTA4H (0.47) CYP3A4KCNA3ESR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651307-A Polypropylene composite material and preparation method thereof 深圳力越新材料有限公司 2023-01-31 CN claimed
CN-115368673-A Graphene modified flame-retardant polypropylene material and preparation method thereof 深圳力越新材料有限公司 2022-11-22 CN claimed
EP-1202952-B2 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2014-07-09 EP claimed
EP-1202952-B1 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS DEGUSSA (DE) 2005-05-18 EP claimed
US-6884887-B1 Method for producing amines by homogeneously catalyzed reductive amination of carbonyl compounds DEGUSSA AG (DE) 2005-04-26 US claimed
CN-115651307-A Polypropylene composite material and preparation method thereof 深圳力越新材料有限公司 2023-01-31 CN disclosed
CN-115368673-A Graphene modified flame-retardant polypropylene material and preparation method thereof 深圳力越新材料有限公司 2022-11-22 CN disclosed
EP-1202952-B2 METHOD FOR PRODUCING AMINES BY HOMOGENEOUSLY CATALYZED REDUCTIVE AMINATION OF CARBONYL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2014-07-09 EP disclosed
EP-1414783-B1 METHOD FOR THE PRODUCTION OF AMINES BY REDUCTIVE AMINATION OF CARBONYL COMPOUNDS UNDER TRANSFER-HYDROGENATION CONDITIONS EVONIK DEGUSSA GMBH (DE) 2009-07-15 EP disclosed
US-20080057227-A1 Manufacturing method of cellulose acylate film, cellulose acylate film, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2008-03-06 US disclosed
US-20080057227-A1 Manufacturing method of cellulose acylate film, cellulose acylate film, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2008-03-06 US disclosed
US-7230134-B2 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions DEGUSSA AG (DE) 2007-06-12 US disclosed
US-20070009804-A1 Heteroatomic polymers as safer electrolytes for magnesium batteries DIXON BRIAN G 2007-01-11 US disclosed
US-6884887-B1 Method for producing amines by homogeneously catalyzed reductive amination of carbonyl compounds DEGUSSA AG (DE) 2005-04-26 US disclosed
US-20040267051-A1 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions EVONIK DEGUSSA GMBH (DE) 2004-12-30 US disclosed
US-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP disclosed
US-5270440-A Process for preparing polyketone using bis(diphenylphosphino) oxaalkane compound AKZO NV (NL) 1993-12-14 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-20040267051-A1 Method for the production of amines by reductive amination of carbonyl compounds under transfer-hydrogenation conditions HNMT, AADAT, ADH5 CYP3A4 485/4885TDP1 4457/4885KCNA3 517/4885
US-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 CYP3A4 3011/4885TDP1 1650/4885KCNA3 433/4885

“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.