SCHEMBL1685651

SCHEMBL1685651

CCC(=O)OCC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
NAAA Q02083 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
TTR P02766 1/20 0.37
BTN3A1 O00481 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL3659692 0.84 ALDH1A1 (0.42) ALDH1A1ALOX15NAAATRPV1CYP1A2
SCHEMBL28901695 0.83 MGAM (0.46) ALDH1A1ALOX15MMP1MMP2MMP9
SCHEMBL27611614 0.83 ALDH1A1 (0.50) ALDH1A1ALOX15MMP1MMP2MMP9
SCHEMBL901115 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15TRPV1
SCHEMBL356537 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15TRPV1
SCHEMBL1532465 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15TRPV1
SCHEMBL356536 0.82 ALDH1A1 (0.71) ALDH1A1ALOX15TRPV1
SCHEMBL1273993 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15MMP1MMP2MMP9
SCHEMBL6743893 0.81 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1
SCHEMBL11409649 0.81 ALDH1A1 (0.69) ALDH1A1ALOX15TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 US claimed
WO-2023077017-A1 METHODS AND COMPOSITIONS USEFUL FOR THE PRODUCTION OF OLEFINIC ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-04 WO disclosed
US-20230060820-A1 OCTENIDINE SALT ANTIMICROBIAL MEDICAL ARTICLES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-03-02 US disclosed
CN-114901069-A Octenidine salt antimicrobial medical articles 3M创新有限公司 2022-08-12 CN disclosed
WO-2021137102-A1 OCTENIDINE SALT ANTIMICROBIAL MEDICAL ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-07-08 WO disclosed
CN-112174949-A Quinolizinone compound and preparation method thereof 北京师范大学 2021-01-05 CN disclosed
CN-111116576-A Quinolizinone compound and preparation method thereof 北京师范大学 2020-05-08 CN disclosed
EP-2341042-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-20 EP disclosed
US-8680328-B2 Method for producing optically active cyclopropane carboxylic acid ester compound, asymmetric copper complex, and optically active salicylideneaminoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-25 US disclosed
EP-1950208-B1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE SUMITOMO CHEMICAL CO (JP) 2012-05-02 EP disclosed
EP-1950208-A1 PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE Sumitomo Chemical Company, Limited (JP) 2008-07-30 EP disclosed
US-20070055076-A1 Processes for synthesizing esters by 1,4-addition of alkanoic acids to myrcene or isoprene LOYOLA UNIVERSITY 2007-03-08 US disclosed
WO-2005044774-A1 PROCESSES FOR SYNTHESIZING ESTERS BY 1,4-ADDITION OF ALKANOIC ACIDS TO MYRCENE OR ISOPRENE LOYOLA UNIVERSITY OF CHICAGO (US) 2005-05-19 WO disclosed
US-6278016-B1 FORMING A REACTION MIXTURE COMPRISING A CARBOXYLIC ACID AND INORGANIC ACID CATALYST; ADDING ISOPRENE TO FORM PRENYL ESTER LOYOLA UNIVERSITY OF CHICAGO 2001-08-21 US disclosed
EP-0968170-A1 METHODS FOR PREPARING PRENYL ALCOHOL LOYOLA UNIVERSITY OF CHICAGO (US) 2000-01-05 EP disclosed
US-5872277-A Methods for preparing prenyl alcohol LOYOLA UNIVERSITY OF CHICAGO (US) 1999-02-16 US disclosed
WO-1998040345-A1 METHODS FOR PREPARING PRENYL ALCOHOL LOYOLA UNIVERSITY OF CHICAGO (US) 1998-09-17 WO disclosed
US-4058536-A Production of high molecular weight α,β-unsaturated aldehydes BASF AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4021411-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-05-03 US disclosed
US-3965193-A Production of high molecular weight α,β-unsaturated aldehydes BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-06-22 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 (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-20070055076-A1 Processes for synthesizing esters by 1,4-addition of alkanoic acids to myrcene or isoprene FASN, FADS2, FADS1 ALDH1A1 129/4885ALOX15 47/4885NAAA 178/4885

“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.