SCHEMBL3708728

SCHEMBL3708728

OC1(C2CCCCCCCCC2)CCCCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
MET P08581 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
HSD17B3 P37058 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL541617 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL5081429 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL7359458 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL4964887 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL3711846 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL7572979 1.00 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL30742696 0.97 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL4613762 0.97 TSHR (0.40) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL9891 0.97 TSHR (0.40) OPRM1OPRD1OPRK1OPRL1MET
SCHEMBL641967 0.97 TSHR (0.40) OPRM1OPRD1OPRK1OPRL1MET

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
US-20120190811-A1 PROCESS FOR THE PREPARATION OF AN ALLYL ALKYL ETHER BY CATALYTIC ALLYLATION HEXION INC. (FORMERLY KNOWN AS MOMENTIVE SPECIALTY CHEMICALS INC.) 2012-07-26 US disclosed
EP-2393767-A1 PROCESS FOR THE PREPARATION OF AN ALLY ALKYL EHTER BY CATALYTIC ALLYATION Momentive Specialty Chemicals Research Belgium S.A. (BE) 2011-12-14 EP disclosed
WO-2010086139-A1 PROCESS FOR THE PREPARATION OF AN ALLY ALKYL EHTER BY CATALYTIC ALLYATION RESOLUTION RESEARCH NEDERLAND B.V. (NL) 2010-08-05 WO disclosed
EP-2213644-A1 Process for the preparation of an allyl alkyl ether by catalyic allylation Hexion Specialty Chemicals Research Belgium S.A. (BE) 2010-08-04 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 (1 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-20120190811-A1 PROCESS FOR THE PREPARATION OF AN ALLYL ALKYL ETHER BY CATALYTIC ALLYLATION ALOX5, APEH, ALKBH5 OPRM1 1466/4885OPRD1 1717/4885OPRK1 1925/4885

“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.