SCHEMBL1996918

SCHEMBL1996918

C/C=C(/C(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 4/20 0.61
AKR1C2 P52895 3/20 0.52
AKR1C3 P42330 2/20 0.52
KMT2A Q03164 3/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TSHR P16473 3/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MEN1 O00255 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
AKT1 P31749 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL367696 1.00 AKR1C1 (0.61) AKR1C1AKR1C2AKR1C3KMT2APTGS2
SCHEMBL2555171 1.00 AKR1C1 (0.61) AKR1C1AKR1C2AKR1C3KMT2APTGS2
SCHEMBL28354228 0.88 AKR1C1 (0.50) AKR1C1AKR1C2AKR1C3KMT2APTGS2
SCHEMBL8894614 0.87 POLB (0.57) AKR1C1KMT2APTGS2ALDH1A1MEN1
SCHEMBL28000528 0.85 AKR1C1 (0.50) AKR1C1AKR1C2AKR1C3KMT2AALDH1A1
SCHEMBL9298954 0.85 AKR1C1 (0.50) AKR1C1AKR1C2AKR1C3KMT2AALDH1A1
SCHEMBL8734925 0.83 CES2 (0.59) AKR1C1ALDH1A1CES2CES1TSHR
SCHEMBL8734921 0.83 CES2 (0.59) AKR1C1ALDH1A1CES2CES1TSHR
SCHEMBL11437339 0.83 CES2 (0.56) AKR1C1AKR1C2AKR1C3KMT2AALDH1A1
SCHEMBL11437343 0.83 CES2 (0.56) AKR1C1AKR1C2AKR1C3KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812029-B Preparation method of crotonate compounds 台州臻挚生物科技有限公司 2023-08-15 CN claimed
EP-1747059-A1 PERVAPORATION COMPOSITE MEMBRANES McMaster University (CA) 2007-01-31 EP claimed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 US claimed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 WO claimed
EP-0758322-B1 ALPHA-(PYRAZOL-3-YL)-OXYMETHYLENE-PHENYLBUTENIC ACID METHYL ESTERS AND THE USE THEREOF AGAINST HARMFUL FUNGI OR ANIMAL PESTS BASF AG (DE) 2001-09-05 EP claimed
CN-119220204-A Preparation method of sodium ion positive electrode binder 无锡安钠能源技术有限公司 2024-12-31 CN disclosed
EP-3674306-B1 THIENOPYRIDINE DERIVATIVES CONTAINING AN ETHYLENIC ESTER, PREPARATION METHOD THEREFOR AND USE THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RES CO LTD (CN) 2023-10-11 EP disclosed
CN-112812029-B Preparation method of crotonate compounds 台州臻挚生物科技有限公司 2023-08-15 CN disclosed
CN-112812029-B Preparation method of crotonate compounds 台州臻挚生物科技有限公司 2023-08-15 CN disclosed
US-20230151128-A1 NEAR INFRARED (NIR) LIGHT CONTROLLED RUTHENIUM CATALYZED OLEFIN METATHESIS NATIONAL SCIENCE FOUNDATION 2023-05-18 US disclosed
WO-2023287964-A1 LIGAND-CONTROLLED DIVERGENT DEHYDROGENATIVE REACTIONS OF ALIPHATIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
US-11466025-B2 Thienopyridine derivatives containing unsaturated aliphatic olefinic bond, preparation method and use thereof TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2022-10-11 US disclosed
WO-2004007417-A1 ENZYME INHIBITORS THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2004-01-22 WO disclosed
US-20030207894-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2003-11-06 US disclosed
EP-1334083-A2 1,4-DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2003-08-13 EP disclosed
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2002-12-05 US disclosed
WO-2002017712-A2 DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2002-03-07 WO disclosed
US-5922710-A Iminooxybenzylcrotonate esters, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
US-4652653-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio)-carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1987-03-24 US disclosed
US-4612378-A Process for the preparation of β-(benzothiazolylthio)- and β-(benzimidazolylthio-carboxylic acids CIBA-GEIGY CORPORATION (US) 1986-09-16 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 (3 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-20030207894-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 AKR1C1 173/4885AKR1C2 285/4885AKR1C3 169/4885
US-11466025-B2 Thienopyridine derivatives containing unsaturated aliphatic olefinic bond, preparation method and use thereof PTGIR, TBXA2R, PTGER1 AKR1C1 548/4885AKR1C2 648/4885AKR1C3 326/4885
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 AKR1C1 173/4885AKR1C2 285/4885AKR1C3 169/4885

“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.