SCHEMBL359346

SCHEMBL359346

N#CC(O)c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CCR1 P32246 1/20 0.44
AR P10275 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS1 P23219 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
KMO O15229 1/20 0.40
AKR1C3 P42330 1/20 0.39
ALOX5 P09917 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL11249733 0.89 TSHR (0.46) TSHRCCR1ARPTGS1ADRB3
SCHEMBL1677135 0.87 TSHR (0.60) TSHRCCR1PTGS1MEN1CYP2D6
SCHEMBL30045078 0.87 TSHR (0.60) TSHRCCR1PTGS1MEN1CYP2D6
SCHEMBL192456 0.87 TSHR (0.60) TSHRCCR1PTGS1MEN1CYP2D6
SCHEMBL3880467 0.87 TSHR (0.60) TSHRCCR1PTGS1MEN1CYP2D6
SCHEMBL29890128 0.87 TSHR (0.60) TSHRCCR1PTGS1MEN1CYP2D6
SCHEMBL5394591 0.85 TSHR (0.44) TSHRPTGS1MEN1CYP2D6KMT2A
SCHEMBL10507535 0.85 TSHR (0.44) TSHRPTGS1MEN1CYP2D6KMT2A
SCHEMBL11233625 0.85 TSHR (0.44) TSHRARPTGS1MEN1CYP2D6
SCHEMBL11142983 0.85 PTGS1 (0.44) CCR1PPARGPPARAPTGS1ADRB3

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 42 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
WO-2012150206-A2 NOVEL CYCLOPROPANOIC ACID ESTER DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150207-A1 USE OF CYCLOPROPANECARBOXYLIC ACID ESTER DERIVATIVES FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
CN-102762532-A Method for producing cyanoalkenylcyclopropanecarboxylic acid salt SUMITOMO CHEMICAL CO 2012-10-31 CN disclosed
EP-0992479-A1 Method for producing cyclopropanecarboxylates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-04-12 EP disclosed
EP-0104908-B1 ARTHROPODICIDAL COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1990-12-27 EP disclosed
US-4849450-A INSECTICIDES, MITICIDES DUNLENA PTY. LTD. (AU) 1989-07-18 US disclosed
EP-0118283-B1 PHENYL-CYCLOBUTANE CARBOXYLATES AS ARTHROPODICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1988-11-02 EP disclosed
EP-0091208-B1 METHOD FOR COMBATING INSECT PESTS, AND NOVEL CYCLOPROPANE CARBOXYLATES USEFUL AS ACTIVE INGREDIENTS THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-06-18 EP disclosed
EP-0118283-A1 Phenyl-cyclobutane carboxylates as arthropodicides COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1984-09-12 EP disclosed
EP-0104908-A1 Arthropodicidal compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1984-04-04 EP disclosed
EP-0091208-A1 Method for combating insect pests, and novel cyclopropane carboxylates useful as active ingredients therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-10-12 EP disclosed
US-4390715-A INSECTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1983-06-28 US disclosed
EP-0044718-A2 Pesticidal pentafluorobenzyl esters of cycloalkyl carboxylic acids COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1982-01-27 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 (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-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT MCCC2, AOC2, DDC TSHR 1331/4885CCR1 140/4885AR 3761/4885

“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.