SCHEMBL3680957

SCHEMBL3680957

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP2A6 P11509 4/20 0.41
HSD17B10 Q99714 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 4/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KEAP1 Q14145 1/20 0.37
ACP3 P15309 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPRT1 P00492 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KIF11 P52732 1/20 0.35
SSTR4 P31391 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL2994685 0.81 PTPRC (0.31) ALDH1A1CYP2A6SSTR4CYP2D6SIGMAR1
SCHEMBL29624141 0.79 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA2KIF11
SCHEMBL34188 0.79 ALDH1A1 (0.40) ALDH1A1TSHRTDP1CA2KIF11
SCHEMBL1736263 0.79 HSD17B10 (0.39) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL252402 0.78 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL28297056 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL4818310 0.78 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29972825 0.78 KIF11 (0.48) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL5928467 0.76 NQO2 (0.37) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL3779049 0.76 KIF11 (0.47) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565425-B1 Production process of a lactate ester or acid LUCITE INT UK LTD (GB) 2008-02-20 EP claimed
US-20060128985-A1 Carbonylation of vinyl acetate LUCITE INTERNATIONAL, INC. 2006-06-15 US claimed
JP-2006508162-A 2006-03-09 JP claimed
EP-1565425-A1 CARBONYLATION OF VINYL ACETATE Lucite International UK Limited (GB) 2005-08-24 EP claimed
WO-2004050599-A1 CARBONYLATION OF VINYL ACETATE LUCITE INTERNATIONAL UK LIMITED (GB) 2004-06-17 WO claimed
US-7767864-B2 Process for the hydroformylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-03 US disclosed
CN-1816513-B Process for the hydroformylation of olefinically unsaturated compounds LUCITE INT UK LTD 2010-06-02 CN disclosed
EP-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 EP disclosed
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2008-02-28 US disclosed
CN-1816513-A Process for the hydroformylation of olefinically unsaturated compounds LUCITE INT UK LTD (GB) 2006-08-09 CN disclosed
US-20060128985-A1 Carbonylation of vinyl acetate LUCITE INTERNATIONAL, INC. 2006-06-15 US disclosed
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2006-06-08 US disclosed
EP-1651587-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2006-05-03 EP disclosed
EP-1527038-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS Lucite International UK Limited (GB) 2005-05-04 EP disclosed
WO-2005003070-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2005-01-13 WO disclosed
WO-2004014834-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INTERNATIONAL UK LIMITED (GB) 2004-02-19 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 (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-20060128985-A1 Carbonylation of vinyl acetate PCCA, LDHA, PC ALDH1A1 78/4885CYP2A6 215/4885HSD17B10 105/4885
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.