SCHEMBL5074026

SCHEMBL5074026

CC(=O)OC1CCCC=C1C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
HSD11B1 P28845 1/20 0.41
CYP19A1 P11511 12/20 0.39
TAS2R46 P59540 2/20 0.36
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL9325972 0.89 ALOX15 (0.51) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL9326508 0.89 ALOX15 (0.51) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL9325975 0.89 ALOX15 (0.51) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL15083626 0.83 ALOX15 (0.41) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL7457038 0.80 CYP19A1 (0.38) ALOX15TSHRUSP2CYP3A4HSD11B1
SCHEMBL17213227 0.80 ALOX15 (0.35) ALOX15TSHRUSP2CYP3A4
SCHEMBL3003039 0.77 CYP19A1 (0.39) ALOX15TSHRCYP19A1TAS2R46CHRM2
SCHEMBL20623071 0.77 MEN1 (0.46) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL11126526 0.76
SCHEMBL8746914 0.76 TLR4 (0.42) ALOX15TSHRCYP19A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336781-B2 Recyclable metathesis catalysts THE TRUSTEES OF BOSTON COLLEGE (US) 2019-07-02 US disclosed
EP-2752401-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-10-10 EP disclosed
EP-2752402-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-06-27 EP disclosed
US-9440907-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-09-13 US disclosed
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS THE TRUSTEES OF BOSTON COLLEGE 2016-06-16 US disclosed
US-9346740-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-05-24 US disclosed
CN-103748065-B Method for producing 2-alkenylamine compound SHOWA DENKO KABUSHIKI KAISHA (JP) 2015-12-23 CN disclosed
EP-2752402-A1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND Showa Denko K.K. (JP) 2014-07-09 EP disclosed
EP-2752401-A1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND Showa Denko K.K. (JP) 2014-07-09 EP disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
US-20040092777-A1 Method for producing allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-13 US disclosed
CN-1071736-C A process for the preparation of carboxylic esters derived from allylic alcohols FIRMENICH & CIE (CH) 2001-09-26 CN disclosed
US-5554786-A Process for the preparation of carboxylic esters defined from allylic alcohols FIRMENICH S.A. (CH) 1996-09-10 US disclosed
CN-1113226-A A process for the preparation of carboxylic esters derived from allylic alcohols FIRMENICH & CIE (CH) 1995-12-13 CN disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 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 (6 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-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ALOX15 46/4885TSHR 4449/4885USP2 4450/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 ALOX15 46/4885TSHR 4449/4885USP2 4450/4885
US-10336781-B2 Recyclable metathesis catalysts DNMT1, CARM1, ZMYND8 ALOX15 2782/4885TSHR 1343/4885USP2 1295/4885
US-20160168181-A1 RECYCLABLE METATHESIS CATALYSTS DNMT1, CARM1, ZMYND8 ALOX15 2782/4885TSHR 1343/4885USP2 1295/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 ALOX15 547/4885TSHR 4147/4885USP2 4248/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 ALOX15 301/4885TSHR 3258/4885USP2 4794/4885

“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.