SCHEMBL5417907

SCHEMBL5417907

Pc1ccc2ccccc2c1-c1c(P)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
CYP2A6 P11509 5/20 0.58
HSD17B10 Q99714 4/20 0.58
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
HPRT1 P00492 2/20 0.52
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
WDR5 P61964 1/20 0.46
DNMT1 P26358 1/20 0.45
CYP1A2 P05177 4/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
PAX8 Q06710 1/20 0.42
CES1 P23141 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
CYP3A4 P08684 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL13177764 0.87 HPRT1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL12737099 0.87 TSHR (0.54) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4800396 0.87 PTPN22 (0.54) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL30944688 0.84 DNMT1 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL28386537 0.84 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL367587 0.84 DNMT1 (0.47) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL13207448 0.83 ALDH1A1 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL14182479 0.83 HSD17B10 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL20256051 0.82 MAPT (0.40) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL369163 0.82 MAPT (0.81) ALDH1A1TDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673376-B2 Laminate DAIKIN INDUSTRIES. LTD. (JP) 2023-06-13 US disclosed
US-9951067-B2 Optically active α-trifluoromethyl-β-amino acid derivative production method MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-04-24 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-20180029993-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-02-01 US disclosed
US-20170283411-A1 Optically Active a-Trifluoromethyl-B-Amino Acid Derivative Production Method MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-10-05 US disclosed
US-9533928-B2 Catalytic anti-markovnikov oxidation and hydration of olefins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-01-03 US disclosed
WO-2016198836-A1 ASYMMETRIC ADDITION REACTIONS ISIS INNOVATION LIMITED (GB) 2016-12-15 WO disclosed
US-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
US-20150299073-A1 CATALYTIC ANTI-MARKOVNIKOV OXIDATION AND HYDRATION OF OLEFINS CALIFORNIA INST OF TECHN (US) 2015-10-22 US disclosed
US-9120732-B2 Catalytic anti-markovnikov oxidation and hydration of olefins CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-01 US disclosed
US-20080139822-A1 Novel optically active biaryl phosphorus compound and production process thereof MAXWELL TECHNOLOGIES, INC. 2008-06-12 US disclosed
US-7301039-B2 Process for preparing cationic rhodium complexes DOW GLOBAL TECHNOLOGIES INC. (US) 2007-11-27 US disclosed
WO-2007123941-A2 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2007-11-01 WO disclosed
US-20070093660-A1 Method for the production of statins RATIOPHARM GMBH (DE) 2007-04-26 US disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 US disclosed
US-20070004928-A1 Process for preparing cationic rhodium complexes RAMSDEN JAMES A 2007-01-04 US disclosed
WO-2006122644-A2 METHOD FOR THE PRODUCTION OF STATINS RATIOPHARM GMBH (DE) 2006-11-23 WO disclosed
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 US disclosed
EP-0850945-B1 Chiral diphosphine compound, intermediate for preparing the same, transition metal complex having the same diphosphine compound as ligand and asymmetric hydrogenation catalyst TAKASAGO PERFUMERY CO LTD (JP) 2002-11-27 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 (9 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 ALDH1A1 3641/4885CYP2A6 719/4885HSD17B10 748/4885
US-20070004928-A1 Process for preparing cationic rhodium complexes RDX, RXFP1, SDF4 ALDH1A1 4742/4885CYP2A6 4647/4885HSD17B10 4267/4885
US-20170283411-A1 Optically Active a-Trifluoromethyl-B-Amino Acid Derivative Production Method BCAT1, BCAT2, ALAD ALDH1A1 563/4885CYP2A6 1810/4885HSD17B10 3544/4885
US-20070093660-A1 Method for the production of statins HMGCR, CYP11A1, CYP51A1 ALDH1A1 673/4885CYP2A6 65/4885HSD17B10 23/4885
US-20080139822-A1 Novel optically active biaryl phosphorus compound and production process thereof PHOSPHO1, DHRS9, HDHD5 ALDH1A1 2036/4885CYP2A6 1282/4885HSD17B10 468/4885
US-20150299073-A1 CATALYTIC ANTI-MARKOVNIKOV OXIDATION AND HYDRATION OF OLEFINS ADH1A, ADH5, ADH1C ALDH1A1 225/4885CYP2A6 61/4885HSD17B10 103/4885
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation OGG1, HPD, HPGD ALDH1A1 2725/4885CYP2A6 790/4885HSD17B10 1244/4885
US-20180029993-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE ALAD, GRHPR, ME1 ALDH1A1 1143/4885CYP2A6 112/4885HSD17B10 374/4885
US-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS ALDH1A1 1727/4885CYP2A6 1875/4885HSD17B10 4180/4885

“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.