SCHEMBL4493935

SCHEMBL4493935

CC(CO)CC(C)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.66
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 1/20 0.37
PYCR1 P32322 1/20 0.36
HTR2A P28223 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 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
SCHEMBL5878306 0.83 ABCB11 (0.44) TRPA1CYP1A2ALOX5PYCR1HTR2A
SCHEMBL3858793 0.83 ABCB11 (0.44) TRPA1CYP1A2ALOX5PYCR1HTR2A
SCHEMBL3858792 0.83 ABCB11 (0.44) TRPA1CYP1A2ALOX5PYCR1HTR2A
SCHEMBL295543 0.79 TRPA1 (1.00) TRPA1
SCHEMBL502172 0.75 TRPA1 (0.46) TRPA1CYP1A2ALOX5PYCR1HTR2A
SCHEMBL19143022 0.73 DPP4 (0.41) PYCR1HTR2ASMN1; SMN2
SCHEMBL17946512 0.73 ALOX5 (0.39) TRPA1CYP1A2ALOX5PYCR1
Acetic Acid SCHEMBL10395902 0.73 TRPA1 (0.85) TRPA1
SCHEMBL1046532 0.72 ALOX5 (0.41) TRPA1CYP1A2ALOX5PYCR1HTR2A
SCHEMBL19524889 0.72 TRPA1 (0.38) TRPA1CYP1A2ALOX5PYCR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 US disclosed
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 US disclosed
US-7348449-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-03-25 US disclosed
EP-1565433-B1 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2007-03-14 EP disclosed
US-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-10-20 US disclosed
EP-1565433-A2 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-08-24 EP disclosed
WO-2004046096-A2 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAF RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT,S.N.C. (FR) 2004-06-03 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 (2 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-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA TRPA1 307/4885CYP1A2 746/4885ALOX5 973/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA TRPA1 305/4885CYP1A2 740/4885ALOX5 984/4885

“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.