SCHEMBL104012

SCHEMBL104012

CC(C)CCc1cccc(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.70
OPRM1 P35372 5/20 0.70
OPRD1 P41143 5/20 0.70
DRD2 P14416 3/20 0.57
DRD1 P21728 2/20 0.57
TAAR1 Q96RJ0 1/20 0.57
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
ENPP2 Q13822 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
MIF P14174 1/20 0.47

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
SCHEMBL11593827 0.86 CHRM2 (0.59) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL3380877 0.85 OPRK1 (0.62) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL8459688 0.85 OPRK1 (0.62) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL9504204 0.85 OPRK1 (0.62) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL9579004 0.85 OPRM1 (0.50) OPRK1OPRM1OPRD1TAAR1GABRA1
SCHEMBL266149 0.85 TAAR1 (0.58) OPRK1OPRM1OPRD1DRD2DRD1
Ethoxycarbonyl Group SCHEMBL26106421 0.83 OPRM1 (0.52) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL24261197 0.83 OPRK1 (0.55) OPRK1OPRM1OPRD1DRD2DRD1
SCHEMBL18122727 0.83 OPRK1 (1.00) OPRK1OPRM1OPRD1DRD2DRD1
Phenol SCHEMBL28856311 0.82 OPRK1 (0.57) OPRK1OPRM1OPRD1DRD3

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
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 CN disclosed
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 US disclosed
CN-112679635-A Preparation method of supported metallocene catalyst and catalyst prepared by same 中国石油化工股份有限公司 2021-04-20 CN disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
US-20150299125-A1 PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-8623867-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-1117002-B1 Negative-working resist composition FUJIFILM CORP (JP) 2010-04-14 EP disclosed
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-7342124-B2 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-03-11 US disclosed
US-7342124-B2 Synthetic techniques and intermediates for polyhydroxy dienyl lactones and mimics thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-03-11 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 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 (5 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 OPRK1 201/4885OPRM1 1146/4885OPRD1 567/4885
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI OPRK1 4764/4885OPRM1 4486/4885OPRD1 4618/4885
US-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 OPRK1 294/4885OPRM1 272/4885OPRD1 406/4885
US-20150299125-A1 PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, IRAK1, BTK OPRK1 857/4885OPRM1 1871/4885OPRD1 1305/4885
US-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C OPRK1 88/4885OPRM1 327/4885OPRD1 69/4885

“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.