SCHEMBL3798533

SCHEMBL3798533

c1ccc2c(CP(C3C4CC5CC(C4)CC3C5)C3C4CC5CC(C4)CC3C5)c(CP(C3C4CC5CC(C4)CC3C5)C3C4CC5CC(C4)CC3C5)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

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 4/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 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
SCHEMBL727666 0.84 CYP2D6 (0.44) CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL1734834 0.78 CHRM2 (0.35)
SCHEMBL30445486 0.71 HSD17B10 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3685302 0.71 HSD17B10 (0.33) HSD17B10CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3000347 0.71
SCHEMBL726031 0.70 CHRM2 (0.42)
SCHEMBL14949937 0.70 BACE1 (0.34) CYP1A2ALDH1A1KDM4EGAAMAPT
SCHEMBL3005857 0.69 FAAH (0.32)
Phenanthrene SCHEMBL28522812 0.68 ALDH1A1 (0.67) HSD17B10CYP1A2CYP2D6ALDH1A1CYP2A6
SCHEMBL1734019 0.68

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7371705-B2 Phospha-adamantane(s) catalytic system LUCITE INTERNATIONAL UK LIMITED (GB) 2008-05-13 US disclosed
US-20060106259-A1 Phospha-adamantane(s) catalytic system LUCITE INTERNATIONAL UK LIMITED (GB) 2006-05-18 US 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-20060106259-A1 Phospha-adamantane(s) catalytic system ADORA2A, ADORA3, ADGRE5 HSD17B10 1997/4885CYP1A2 252/4885CYP2C9 1206/4885
US-20080051475-A1 Process for the Hydroformylation of Ethylenically Unsaturated Compounds ETV6, DHPS, ELOVL6 HSD17B10 1005/4885CYP1A2 883/4885CYP2C9 190/4885

“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.