SCHEMBL1406782

SCHEMBL1406782

CC(C)COc1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)cc(-c2ccc(C(C)(C)C)cc2)c1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
BLM P54132 1/20 0.54
CASP7 P55210 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
XDH P47989 1/20 0.40
TNFRSF1A P19438 6/20 0.39
CXCL12 P48061 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL1406781 1.00 TP53 (0.54) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406382 0.93 MAPT (0.48) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406379 0.93 MAPT (0.48) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406530 0.86 TP53 (0.53) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406756 0.86 TP53 (0.53) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406714 0.83 RARA (0.39) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406712 0.83 RARA (0.39) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406684 0.79 MAPT (0.47) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406578 0.79 MAOB (0.48) TP53CYP3A4MAPTALOX15MAPK1
SCHEMBL1406683 0.79 MAPT (0.47) TP53CYP3A4MAPTALOX15MAPK1

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 TP53 427/4885CYP3A4 1825/4885MAPT 4711/4885

“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.