SCHEMBL700292

SCHEMBL700292

CC(C)(C)P(c1cccc2ccccc12)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP2A6 P11509 4/20 0.43
HSD17B10 Q99714 6/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 7/20 0.38
HPGD P15428 3/20 0.38
CYP3A4 P08684 1/20 0.38
KEAP1 Q14145 1/20 0.38
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5608750 0.84 PPARG (0.38) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL2550357 0.82 ALDH1A1 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL30222010 0.79 MAPT (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL2023656 0.79 MAPT (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1315082 0.78 MAPK1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL30480018 0.78 MAPK1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL10714313 0.78 ALDH1A1 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL2550779 0.77 ALDH1A1 (0.35) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL202312 0.76 DHFR (0.40) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3656667 0.76 DHFR (0.40) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4808401-B2 2011-11-02 JP claimed
US-7767864-B2 Process for the hydroformylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-03 US claimed
EP-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 EP claimed
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2008-02-28 US claimed
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2006-06-08 US claimed
JP-2005535695-A 2005-11-24 JP claimed
EP-1527038-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS Lucite International UK Limited (GB) 2005-05-04 EP claimed
CN-1140532-C Process for preparation of bisphosphines 卢西特国际英国有限公司 2004-03-03 CN claimed
WO-2004014834-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INTERNATIONAL UK LIMITED (GB) 2004-02-19 WO claimed
EP-1003754-B1 METHOD OF MANUFACTURING PHOSPHINE COMPOUND LUCITE INT UK LTD (GB) 2004-02-11 EP claimed
EP-1064288-B1 PROCESS FOR THE PREPARATION OF BISPHOSPHINES LUCITE INT UK LTD (GB) 2003-05-02 EP claimed
CN-1293675-A Process for preparation of bisphosphines INIOS ACRYLIC ACID BRITISH PLC (GB) 2001-05-02 CN claimed
EP-1064288-A1 PROCESS FOR THE PREPARATION OF BISPHOSPHINES Ineos Acrylics UK Limited (GB) 2001-01-03 EP claimed
WO-1999047528-A1 PROCESS FOR THE PREPARATION OF BISPHOSPHINES INEOS ACRYLICS UK LIMITED (GB) 1999-09-23 WO claimed
EP-1688424-B1 PHOSPHONIUM BORATE COMPOUND AND METHOD OF USING THE SAME HOKKO CHEM IND CO (JP) 2016-01-13 EP disclosed
EP-2552928-B1 A PROCESS FOR THE REDUCTION OF A TERTIARY PHOSPHINE OXIDE TO THE CORRESPONDING TERTIARY PHOSPHINE IN THE PRESENCE OF A CATALYST AND USE OF A TERTIARY PHOSPHINE FOR REDUCING A TERTIARY PHOSPHINE OXIDE IN THE PRESENCE OF A CATALYST. CHROMAFORA AB (SE) 2015-04-15 EP disclosed
US-8735629-B2 Process for the reduction of a tertiary phosphine oxide to the corresponding tertiary phosphine in the presence of a catalyst and use of a tertiary phosphine for reducing a tertiary phosphine oxide in the presence of a catalyst CHROMAFORA AB (SE) 2014-05-27 US disclosed
WO-1999009040-A1 METHOD OF MANUFACTURING PHOSPHINE COMPOUND INEOS ACRYLICS UK LIMITED (GB) 1999-02-25 WO disclosed
EP-0799180-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENE AND CATALYST SYSTEM FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-10-08 EP disclosed
WO-1996019434-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENE AND CATALYST SYSTEM FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-06-27 WO 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-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds ETV6, DHPS, ELOVL6 ALDH1A1 1441/4885CYP2A6 110/4885HSD17B10 1005/4885
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds CYC1, CYCS, COX5A ALDH1A1 1472/4885CYP2A6 253/4885HSD17B10 628/4885

“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.