SCHEMBL358451

SCHEMBL358451

COCc1ccc(C(O)C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALOX5 P09917 4/20 0.41
ESR1 P03372 8/20 0.41
ESR2 Q92731 8/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.37
IDO1 P14902 2/20 0.36
ADRB3 P13945 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL7207778 0.81 ESR1 (0.41) ALOX5ESR1ESR2ACACBIDO1
SCHEMBL9563057 0.79 TSHR (0.54) TSHRESR1ESR2MEN1ALDH1A1
SCHEMBL27915242 0.76 IDO1 (0.45) TSHRESR1ESR2ALDH1A1ACACB
SCHEMBL8791848 0.76 PTGS1 (0.50) TSHRALOX5ESR1ESR2MEN1
SCHEMBL5323387 0.75 TSHR (0.54) TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL1200448 0.75 TSHR (0.54) TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL31435835 0.75 ESR1 (0.44) ESR1ESR2ALDH1A1CYP1A2CYP2C9
SCHEMBL9185138 0.75 TSHR (0.54) TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL1200677 0.74 ALDH1A1 (0.44) TSHRALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11307378 0.73 IDO1 (0.45) ESR1ESR2CYP1A2CYP2C19ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792889-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2015-03-04 EP disclosed
CN-102365264-B Process for producing 3-(2-cyano-1-propenyl)-2,2- dimethylcyclopropanecarboxylic acid or salt thereof SUMITOMO CHEMICAL CO 2014-05-21 CN disclosed
EP-2418197-B1 PROCESS FOR PRODUCING 3-(2-CYANO-1-PROPENYL)-2,2- DIMETHYLCYCLOPROPANECARBOXYLIC ACID OR SALT THEREOF SUMITOMO CHEMICAL CO (JP) 2014-05-07 EP disclosed
EP-1547995-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2014-05-07 EP disclosed
US-8461370-B2 Process for producing 3-(2-cyano-1-propenyl)-2,2- dimethylcyclopropanecarboxylic acid or salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-11 US disclosed
EP-2537828-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT Sumitomo Chemical Company, Limited (JP) 2012-12-26 EP disclosed
US-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 US disclosed
CN-102762532-A Method for producing cyanoalkenylcyclopropanecarboxylic acid salt SUMITOMO CHEMICAL CO 2012-10-31 CN disclosed
CN-102365264-A Process for producing 3-(2-cyano-1-propenyl)-2,2- dimethylcyclopropanecarboxylic acid or salt thereof SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-2418197-A1 PROCESS FOR PRODUCING 3-(2-CYANO-1-PROPENYL)-2,2- DIMETHYLCYCLOPROPANECARBOXYLIC ACID OR SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2012-02-15 EP disclosed
US-20020151741-A1 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-17 US disclosed
CN-1369476-A Process for prepn. of cyclopropane formic ether SUMITOMO CHEMICAL CO (JP) 2002-09-18 CN disclosed
US-6441220-B1 ESTERIFICATION WITH ALCOHOL IN PRESENCE OF BASIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-27 US disclosed
EP-1227077-A2 Process for producing cyclopropanecarboxylates Sumitomo Chemical Co.,Ltd. (JP) 2002-07-31 EP disclosed
CN-1354166-A Process for preparing cyclopropane carboxylic acid ester SUMITOMO CHEMICAL CO (JP) 2002-06-19 CN disclosed
EP-1203760-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-08 EP disclosed
US-20020052525-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-02 US disclosed
CN-1282729-A Preparation method of cyclopropane carboxylic acid ester SUMITOMO CHEMICAL CO (JP) 2001-02-07 CN disclosed
EP-1061065-A2 Methods for producing cyclopropane carboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-12-20 EP disclosed
EP-0992479-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-04-12 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 (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-20020151741-A1 Process for producing cyclopropanecarboxylates CYC1, CYP21A2, CYP2A6 TSHR 4329/4885ALOX5 140/4885ESR1 4753/4885
US-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT MCCC2, AOC2, DDC TSHR 1331/4885ALOX5 279/4885ESR1 4766/4885
US-20020052525-A1 Method for producing cyclopropanecarboxylates CYP8B1, SRD5A2, CYP21A2 TSHR 1601/4885ALOX5 509/4885ESR1 4123/4885

“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.