SCHEMBL1406852

SCHEMBL1406852

CN1CCN(c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)cc(C(C)(C)C)c2OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.49
MAOB P27338 2/20 0.45
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 8/20 0.42
HDAC4 P56524 8/20 0.42
HDAC1 Q13547 8/20 0.42

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
SCHEMBL1406855 1.00 TNFRSF1A (0.49) TNFRSF1AMAOBMAPK1HSD17B10TP53
SCHEMBL1406465 0.92 TNFRSF1A (0.50) TNFRSF1AMAOBMAPK1HSD17B10TP53
SCHEMBL1406467 0.92 TNFRSF1A (0.50) TNFRSF1AMAOBMAPK1HSD17B10TP53
SCHEMBL1406860 0.89 TNFRSF1A (0.43) TNFRSF1AMAOBMAPK1HSD17B10ABCG2
SCHEMBL1406397 0.89 TNFRSF1A (0.43) TNFRSF1AMAOBMAPK1HSD17B10ABCG2
SCHEMBL1406474 0.84 MAPK1 (0.41) MAPK1HSD17B10MAPTMEN1KMT2A
SCHEMBL1406642 0.84 MAPK1 (0.41) MAPK1HSD17B10MAPTMEN1KMT2A
SCHEMBL1406670 0.83 TNFRSF1A (0.47) TNFRSF1AMAOBMAPK1HSD17B10TP53
SCHEMBL1406696 0.83 TNFRSF1A (0.47) TNFRSF1AMAPK1HSD17B10TP53MAPT
SCHEMBL1406868 0.83 TNFRSF1A (0.47) TNFRSF1AMAOBMAPK1HSD17B10TP53

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-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP claimed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US claimed
EP-1513793-B1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2011-03-09 EP disclosed
US-7468457-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-23 US disclosed
US-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 US 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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG TNFRSF1A 87/4885MAOB 1897/4885MAPK1 2843/4885

“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.