SCHEMBL988976

SCHEMBL988976

O=C(O)c1cccc(P(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.53
DAO P14920 1/20 0.52
TSHR P16473 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
AKR1C3 P42330 1/20 0.50
CYP3A4 P08684 1/20 0.50
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
UNG P13051 1/20 0.47

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
SCHEMBL31598432 1.00 KMO (0.53) KMODAOTSHRNAPRTCA12
SCHEMBL9340230 1.00 KMO (0.53) KMODAOTSHRNAPRTCA12
SCHEMBL6226554 0.96 CA12 (0.56) KMODAOTSHRNAPRTCA12
SCHEMBL10826507 0.94 CES2 (0.55) KMODAOTSHRNAPRTCA12
Benzoic Acid SCHEMBL27537937 0.87 TSHR (0.70) KMODAOTSHRNAPRTCA1
SCHEMBL12313447 0.85 TDP1 (0.52) KMODAOTSHRNAPRTCES2
Benzoic Acid SCHEMBL8958605 0.85 TSHR (0.67) KMODAOTSHRNAPRTCA1
SCHEMBL3390904 0.84 KMT2A (0.51) CES2CES1TDP1CYP3A4CYP1A2
SCHEMBL8397432 0.84 CA2 (0.59) KMODAOTSHRNAPRTCA1
Isophthalic Acid SCHEMBL15571947 0.83 CA2 (0.48) KMODAOTSHRNAPRTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422232-B2 Reductive release probes containing a chemoselectively cleavable α-azidoether linker and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-23 US disclosed
CN-102424694-B Preparation method of palladium complex and conjugated aromatic polymer CHANGCHUN APPLIED CHEMISTRY 2014-09-17 CN disclosed
CN-103007857-A Industrial water-free oxygen-free production apparatus XIN AN NUOYA BEIJING CATALYTIC TECHNOLOGY CO LTD 2013-04-03 CN disclosed
EP-2535423-A2 Labeling and detection of nucleic acids Life Technologies Corporation (US) 2012-12-19 EP disclosed
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 US disclosed
US-8216968-B2 Coordination complex system comprising building blocks UNIVERSITEIT VAN AMSTERDAM (NL) 2012-07-10 US disclosed
CN-102424694-A Preparation method of palladium complex and conjugated aromatic hydrocarbon polymer CHANGCHUN APPLIED CHEMISTRY 2012-04-25 CN disclosed
WO-2011005821-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-13 WO disclosed
CN-101848919-A Method for hydroformylation BASF SE 2010-09-29 CN disclosed
US-20100240896-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-09-23 US disclosed
EP-1066298-B1 PREPARATION OF PHOSPHINE LIGANDS CHIROTECH TECHNOLOGY LTD (GB) 2002-08-14 EP disclosed
US-20010011145-A1 Preparation of phosphine ligands LENNON IAN CAMPBELL (GB) 2001-08-02 US disclosed
EP-1066298-A1 PREPARATION OF PHOSPHINE LIGANDS Chirotech Technology Limited (GB) 2001-01-10 EP disclosed
WO-1999051614-A1 PREPARATION OF PHOSPHINE LIGANDS CHIROTECH TECHNOLOGY LIMITED (GB) 1999-10-14 WO disclosed
EP-0444786-B1 Preparation and use of dyes MINNESOTA MINING & MFG (US) 1994-06-15 EP disclosed
US-5208135-A Infrared Sensitive, Photocurable MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-05-04 US disclosed
EP-0444786-A1 Preparation and use of dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-04 EP disclosed
EP-0173563-B1 SUPERSENSITIZATION OF SILVER HALIDE EMULSIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-05 EP disclosed
US-4578347-A WATER SOLUBLE TRIARYL PHOSPHINE, ARSINE, AMINE, BISMUTHINE OR STIBINE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-03-25 US disclosed
EP-0173563-A2 Supersensitization of silver halide emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-03-05 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-20010011145-A1 Preparation of phosphine ligands PTGER4, PTGER3, P2RX3 KMO 238/4885DAO 581/4885TSHR 406/4885
US-20100240896-A1 METHOD FOR HYDROFORMYLATION CBR3, GRHPR, PRDX2 KMO 511/4885DAO 723/4885TSHR 1291/4885
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF CPSF1, CPSF7, CPSF6 KMO 2649/4885DAO 1278/4885TSHR 600/4885

“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.