SCHEMBL4659378

SCHEMBL4659378

Pc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
DRD1 P21728 2/20 0.40
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
Water SCHEMBL28398548 0.98 CYP3A4 (0.50) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL5680437 0.82 ACHE (0.35) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL12446305 0.82 CYP3A4 (0.44) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL150139 0.81 TDP1 (0.69) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL8073956 0.78 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL4146230 0.78 CYP3A4 (0.65) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL5680509 0.78 ACHE (0.33)
SCHEMBL13800818 0.78 TDP1 (0.39) CYP3A4TDP1ESR1ESR2DRD1
SCHEMBL16094790 0.78 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2DRD1
Lithium SCHEMBL31299878 0.74 TDP1 (0.92) CYP3A4TDP1ESR1ESR2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254331-B Process for producing functionalized polymers BRIDGESTONE CORP 2015-01-21 CN claimed
CN-104220167-A Method for converting carbon dioxide and bicarbonates into formic acid derivatives using a cobalt complex as a catalytic system BAYER TECHNOLOGY SERVICES GMBH 2014-12-17 CN claimed
CN-103635421-A Method for obtaining hydrogen by catalytic decomposition of formic acid BAYER TECHNOLOGY SERVICES GMBH 2014-03-12 CN claimed
CN-101367892-B Method for preparing functionalized polymers BRIDGESTONE CORP 2014-01-29 CN claimed
CN-103254331-A Process for producing functionalized polymers BRIDGESTONE CORP 2013-08-21 CN claimed
CN-101367892-A Method for preparing functionalized polymers BRIDGESTONE CORP (JP) 2009-02-18 CN claimed
CN-115433227-A Multidentate phosphine coordinated copper trihalo tri-type complex, and synthesis method and application thereof 黑龙江大学 2022-12-06 CN disclosed
CN-103254331-B Process for producing functionalized polymers BRIDGESTONE CORP 2015-01-21 CN disclosed
CN-104220167-A Method for converting carbon dioxide and bicarbonates into formic acid derivatives using a cobalt complex as a catalytic system BAYER TECHNOLOGY SERVICES GMBH 2014-12-17 CN disclosed
CN-103635421-A Method for obtaining hydrogen by catalytic decomposition of formic acid BAYER TECHNOLOGY SERVICES GMBH 2014-03-12 CN disclosed
CN-101367892-B Method for preparing functionalized polymers BRIDGESTONE CORP 2014-01-29 CN disclosed
CN-103254331-A Process for producing functionalized polymers BRIDGESTONE CORP 2013-08-21 CN disclosed
CN-101367892-A Method for preparing functionalized polymers BRIDGESTONE CORP (JP) 2009-02-18 CN disclosed
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
US-6717016-B2 HAVING CHEMICAL SELECTIVITY, ENANTIOSELECTIVITY, CATALYTIC ACTIVITY; FOR USE AS A CATALYST FOR ASYMMETRIC SYNTHESES, ESPECIALLY ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-06 US disclosed
EP-1334976-A1 Novel phosphine compound, transition metal complex containing said compound as ligand and asymetric synthesis catalyst containing said complex Takasago International Corporation (JP) 2003-08-13 EP disclosed
US-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 US disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal TAKASAGO INTERNATIONAL CORPORATION 2003-06-26 US disclosed
EP-1279660-A1 Process for producing an optically active amide from an alpha, beta-unsaturated amide derivative in the presence of a transition metal complex containing a phosphine-phosphorane compound and a transition metal Takasago International Corporation (JP) 2003-01-29 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 (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-20030144139-A1 Novel phosphine compound, transition metal complex containing the same phosphine compound as ligand and asymmetric synthesis catalyst containing the complex PHOSPHO1, MEN1, PDCD1 CYP3A4 1928/4885TDP1 4744/4885ESR1 2813/4885
US-20030120067-A1 Process for producing optically active amide from alpha beta- unsaturated amide derivative in the presence of transition metal complex containing phosphine-phosphorane compound and transition metal PHOSPHO1, NAAA, DEGS1 CYP3A4 1674/4885TDP1 4638/4885ESR1 2737/4885

“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.