SCHEMBL4613762

SCHEMBL4613762

O[C@]12CCCC[C@H]1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
OPRD1 P41143 1/20 0.40
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
MET P08581 1/20 0.36
MAPK1 P28482 2/20 0.33
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9891 1.00 TSHR (0.40) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL641967 1.00 TSHR (0.40) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL4964887 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL7359458 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL7924907 0.97 OPRM1 (0.39) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL5081429 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL7572979 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL3711846 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL3708728 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT
SCHEMBL541617 0.97 OPRM1 (0.43) TSHROPRM1OPRK1OPRL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
EP-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
CN-1211333-C Alicyclic compounds containing hydroxymethyl group, process for producing the same, and polymerizable alicyclic compound DAICCL CHEMICAL IND LTD (JP) 2005-07-20 CN disclosed
US-6576787-B1 Hydroxymethyl-group-containing alicyclic compound and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-10 US disclosed
US-20030032806-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2003-02-13 US disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
US-20020049352-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2002-04-25 US disclosed
EP-1167329-A2 Oxidation of carbon-boron bonds Pfizer Products Inc. (US) 2002-01-02 EP disclosed
CN-1293649-A Hydroxymethyl-containing alicyclic compound, process for producing the same, and polymerizable alicyclic compound OAICAL CHEMIAL IND LTD (JP) 2001-05-02 CN disclosed
US-6218569-B1 CATALYTIC ESTERIFICATION REACTION OF ALICYCLIC ALCOHOL AND UNSATURATED CARBOXYLIC ACID; PHOTOSENSITIVITY DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-17 US disclosed
EP-1070699-A1 ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
EP-1057806-A1 POLYMERIZABLE ALICYCLIC ESTERS AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 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 (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-20030032806-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 TSHR 4484/4885OPRM1 1366/4885OPRK1 1134/4885
US-20020049352-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 TSHR 4484/4885OPRM1 1366/4885OPRK1 1134/4885

“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.