SCHEMBL4596292

SCHEMBL4596292

Pc1ccc2c(c1-c1c(P)ccc3c1OCO3)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
NQO2 P16083 3/20 0.39
CYP19A1 P11511 2/20 0.39
AOC3 Q16853 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
PTGS2 P35354 1/20 0.36
BAD Q92934 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL6757446 0.84 ABCG2 (0.44) ABCG2TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL13756967 0.81 ITGB2 (0.40) ALDH1A1HSD17B10
SCHEMBL13950616 0.76 SRD5A2 (0.41) TXNRD1TXNRD3TXNRD2NQO2CYP19A1
SCHEMBL13950622 0.76 TXNRD1 (0.38) ABCG2TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL13950623 0.76 AOC3 (0.36) ABCG2TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL13950626 0.76 TXNRD1 (0.34) ABCG2TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL12446382 0.74 NQO2 (0.46) ABCG2TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL12023132 0.74 AOC3 (0.53) ABCG2TXNRD1TXNRD3TXNRD2AOC3
SCHEMBL23635064 0.70 TXNRD1 (0.40) ABCG2TXNRD1TXNRD3TXNRD2NQO2
SCHEMBL14302834 0.70 TXNRD1 (0.40) ABCG2TXNRD1TXNRD3TXNRD2NQO2

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
US-11673376-B2 Laminate DAIKIN INDUSTRIES. LTD. (JP) 2023-06-13 US disclosed
US-9938204-B2 Intermolecular C-H silylation of unactivated arenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-10 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
US-9187498-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-11-17 US disclosed
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction MICROBIAL CHEM RES FOUND (JP) 2015-07-02 US disclosed
US-9012649-B2 Method for producing optically active 2-arylpiperidinium salt TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-21 US disclosed
US-8981123-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-03-17 US disclosed
EP-2563799-B1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-02-11 EP disclosed
US-20140296539-A1 Compound and Asymmetric Synthesis Reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2014-10-02 US disclosed
WO-2014139854-A1 SELECTIVE HYDROGENATION OF ALDEHYDES WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2014-09-18 WO disclosed
US-20140213792-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERIDINIUM SALT TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-31 US disclosed
WO-2014038666-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINE 高砂香料工業株式会社 (JP) 2014-03-13 WO disclosed
EP-2264000-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND Nippon Soda Co., Ltd. (JP) 2010-12-22 EP disclosed
US-7576118-B2 Asymmetric hydrogenation process MERCK & CO., INC. (US) 2009-08-18 US disclosed
EP-1419815-B1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes TAKASAGO PERFUMERY CO LTD (JP) 2008-01-09 EP disclosed
US-7078568-B2 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-18 US disclosed
US-20050288531-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes SHIMIZU HIDEO 2005-12-29 US disclosed
EP-1419815-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes Takasago International Corporation (JP) 2004-05-19 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 (6 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-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES CCNH, CTTN, CCRL2 ABCG2 2048/4885TXNRD1 4592/4885TXNRD3 4085/4885
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY ABCG2 1252/4885TXNRD1 4250/4885TXNRD3 4695/4885
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction CYP2E1, REV1, CYP19A1 ABCG2 1319/4885TXNRD1 2499/4885TXNRD3 2542/4885
US-20140296539-A1 Compound and Asymmetric Synthesis Reaction CYP2E1, REV1, CYP19A1 ABCG2 1319/4885TXNRD1 2499/4885TXNRD3 2542/4885
US-20050288531-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes PHOSPHO1, PRMT1, PRMT9 ABCG2 2141/4885TXNRD1 1503/4885TXNRD3 1784/4885
US-20140213792-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERIDINIUM SALT REN, KCNH3, KCNH2 ABCG2 2962/4885TXNRD1 2252/4885TXNRD3 1457/4885

“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.