SCHEMBL12784385

SCHEMBL12784385

CC(N)/C=C\c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
AHR P35869 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAOB P27338 1/20 0.40
FBP1 P09467 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL2080028 1.00 ADRB2 (0.46) ADRB2AHRSLC6A2SLC6A3CYP1A2
SCHEMBL2077774 1.00 ADRB2 (0.46) ADRB2AHRSLC6A2SLC6A3CYP1A2
SCHEMBL12784436 1.00 ADRB2 (0.46) ADRB2AHRSLC6A2SLC6A3CYP1A2
SCHEMBL2077776 1.00 ADRB2 (0.46) ADRB2AHRSLC6A2SLC6A3CYP1A2
SCHEMBL10131184 0.82 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL9967711 0.82 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL14465008 0.82 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL7373692 0.78 NFE2L2 (0.50) ALOX5PTGS1PTGS2FBP1NFE2L2
SCHEMBL8783722 0.78 MAPT (0.52) GRIK1GRIK2
SCHEMBL10365515 0.78 AHR (0.45) ADRB2AHRCYP1A2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018100191-A1 AGROCHEMICAL COMPOSITIONS COMPRISING PHENYL-PROPANOIC ACID DERIVATIVES FOR CROP YIELD INCREASE VIB VZW (BE) 2018-06-07 WO disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 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-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 ADRB2 73/4885AHR 311/4885SLC6A2 518/4885

“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.