SCHEMBL3685302

SCHEMBL3685302

c1ccc2c(CP(C34CC5CC(CC(C5)C3)C4)C34CC5CC(CC(C5)C3)C4)c(CP(C34CC5CC(CC(C5)C3)C4)C34CC5CC(CC(C5)C3)C4)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 7/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
G6PD P11413 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL30445486 1.00 HSD17B10 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL727665 0.84 CYP2D6 (0.44) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL1734830 0.78 P2RX7 (0.39) ALDH1A1TSHRHPGDEPHX2MEN1
SCHEMBL2830096 0.76 P2RX7 (0.38) ALDH1A1TSHRHPGDEPHX2MEN1
SCHEMBL3798533 0.71 HSD17B10 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3000346 0.70 P2RX7 (0.34) ALDH1A1MAPTTDP1TSHRG6PD
SCHEMBL289717 0.70 OPRK1 (0.42) ALDH1A1TSHRHPGDEPHX2MEN1
SCHEMBL3007963 0.70 CNR2 (0.39) ALDH1A1MAPT
SCHEMBL16525120 0.69 CYP11B1 (0.33) NPSR1MEN1KMT2A
SCHEMBL3005852 0.69 MEN1 (0.38) ALDH1A1MAPTTSHRNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1565425-B1 Production process of a lactate ester or acid LUCITE INT UK LTD (GB) 2008-02-20 EP claimed
US-7265240-B2 With CO in the presence of a source of hydroxyl groups (water or an alcohol) and a catalyst obtained by combining a Group VIII metal or a compound thereof and a bidentate phosphine, e.g., tri(dibenzylideneacetone)di-palladium LUCITE INTERNATIONAL UK LIMITED (GB) 2007-09-04 US claimed
US-20060128985-A1 Carbonylation of vinyl acetate LUCITE INTERNATIONAL, INC. 2006-06-15 US claimed
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2006-06-08 US claimed
EP-1651587-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2006-05-03 EP 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-2005003070-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2005-01-13 WO 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
EP-1527038-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INT UK LTD (GB) 2010-03-17 EP disclosed
EP-1534427-B1 AN ADAMANTYL CATALYST SYSTEM LUCITE INT UK LTD (GB) 2009-10-21 EP disclosed
US-7371705-B2 Phospha-adamantane(s) catalytic system LUCITE INTERNATIONAL UK LIMITED (GB) 2008-05-13 US disclosed
EP-1651587-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2006-05-03 EP disclosed
EP-1565425-A1 CARBONYLATION OF VINYL ACETATE Lucite International UK Limited (GB) 2005-08-24 EP disclosed
WO-2005003070-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2005-01-13 WO disclosed
WO-2004050599-A1 CARBONYLATION OF VINYL ACETATE LUCITE INTERNATIONAL UK LIMITED (GB) 2004-06-17 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 HSD17B10 105/4885CYP1A2 296/4885CYP2C9 239/4885
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds ETV6, DHPS, ELOVL6 HSD17B10 1005/4885CYP1A2 883/4885CYP2C9 190/4885
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds CYC1, CYCS, COX5A HSD17B10 628/4885CYP1A2 144/4885CYP2C9 20/4885

“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.