SCHEMBL17097101

SCHEMBL17097101

CCCCCCCCCc1c(O)ccc(/C=C/c2ccccc2)c1/C=C/c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
EGFR P00533 1/20 0.40
TYR P14679 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 1/20 0.37
TTR P02766 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CHAT P28329 1/20 0.36

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
SCHEMBL17092828 1.00 TRPA1 (0.41) TRPA1EGFRTYRTDP1TP53
SCHEMBL27742021 0.83 TRPA1 (0.51) TRPA1EGFRMAPTKDM4ECHAT
SCHEMBL23856117 0.79 TRPA1 (0.40) TRPA1EGFRTDP1TP53MAPT
SCHEMBL23856118 0.79 TRPA1 (0.40) TRPA1EGFRTDP1TP53MAPT
SCHEMBL919137 0.79 AHR (0.49) EGFRTTRALOX5PTGS1PTGS2
SCHEMBL919139 0.79 AHR (0.49) EGFRTTRALOX5PTGS1PTGS2
SCHEMBL6470750 0.79 AHR (0.49) EGFRTTRALOX5PTGS1PTGS2
SCHEMBL8105367 0.78 TYR (0.42) TRPA1EGFRTYRTDP1TP53
SCHEMBL8770707 0.78 TYR (0.48) EGFRTYRTDP1TP53MAPT
SCHEMBL2356473 0.75 BID (0.54) MAPTKDM4EALOX5PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3119839-B1 TRI-SUBSTITUTED AROMATIC-CONTAINING ADDITIVES AND SURFACTANTS AND METHODS FOR USE RHODIA OPERATIONS (FR) 2019-08-14 EP disclosed
US-9650323-B2 Tri-substituted aromatic-containing additives and surfactants and methods for use RHODIA OPERATIONS (FR) 2017-05-16 US disclosed
EP-3119839-A1 TRI-SUBSTITUTED AROMATIC-CONTAINING ADDITIVES AND SURFACTANTS AND METHODS FOR USE Rhodia Operations (FR) 2017-01-25 EP disclosed
US-20150267035-A1 TRI-SUBSTITUTED AROMATIC-CONTAINING ADDITIVES AND SURFACTANTS AND METHODS FOR USE RHODIA OPERATIONS (FR) 2015-09-24 US disclosed
WO-2015143050-A1 TRI-SUBSTITUTED AROMATIC-CONTAINING ADDITIVES AND SURFACTANTS AND METHODS FOR USE RHODIA OPERATIONS (FR) 2015-09-24 WO 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-20150267035-A1 TRI-SUBSTITUTED AROMATIC-CONTAINING ADDITIVES AND SURFACTANTS AND METHODS FOR USE TYR, TLR3, TPST2 TRPA1 36/4885EGFR 2554/4885TYR 1/4885

“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.