SCHEMBL369882

SCHEMBL369882

C=CCS[C](C=C)SCC=C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.32

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
SCHEMBL4239372 0.73 TRPA1 (0.47) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL3804612 0.73
SCHEMBL2067640 0.71 TRPA1 (0.44) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL253403 0.71
SCHEMBL4559633 0.69 TRPA1 (0.36) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL17266746 0.69
SCHEMBL1457345 0.69 TRPA1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL5796214 0.69 ALDH1A1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL5320924 0.69
SCHEMBL19348074 0.69 TRPA1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3771714-A1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES Bayer AG (DE) 2021-02-03 EP claimed
EP-3227290-B1 2H-PYRAZOLO[4,3-B]PYRIDINES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2018-11-21 EP claimed
EP-3227303-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-10-24 EP claimed
US-20180282319-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US claimed
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US claimed
EP-3227288-B1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2018-08-29 EP claimed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US claimed
US-9832999-B1 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-05 US claimed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US claimed
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US claimed
EP-0467183-A1 Herbicides based on sulfonylated (thio)carbamic acid esters, sulfonylated carbamic acid esters and process for their preparation BAYER AG (DE) 1992-01-22 EP claimed
US-5069711-A PREEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US claimed
EP-0427031-A2 N-aryl-nitrogen heterocycles BAYER AG (DE) 1991-05-15 EP claimed
EP-0416361-A1 N-(5-alkyl thiophenyl)-nitrogenheterocycles BAYER AG (DE) 1991-03-13 EP claimed
EP-0400403-A2 N-aryl-nitrogen-heterocycles BAYER AG (DE) 1990-12-05 EP claimed
EP-0382034-A1 N-aryl-nitrogenated heterocycles BAYER AG (DE) 1990-08-16 EP claimed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP claimed
EP-0364797-A2 N-aryl-nitrogenated heterocycles, process for their preparation and their use as herbicides BAYER AG (DE) 1990-04-25 EP claimed
EP-0308702-A2 N-aryl-nitrogen heterocycles BAYER AG (DE) 1989-03-29 EP claimed
EP-0278944-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1988-08-17 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TRPA1 280/4885ALDH1A1 4131/4885CYP3A4 773/4885
US-20180282319-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TRPA1 320/4885ALDH1A1 3812/4885CYP3A4 582/4885
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TRPA1 280/4885ALDH1A1 4131/4885CYP3A4 773/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TRPA1 320/4885ALDH1A1 3812/4885CYP3A4 582/4885
US-20170327487-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 TRPA1 280/4885ALDH1A1 4131/4885CYP3A4 773/4885

“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.