SCHEMBL1406368

SCHEMBL1406368

Cc1ccc(-c2cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc(OCC(C)C)c2C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.39
XDH P47989 5/20 0.38
RXRA P19793 4/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.36
MAP4K4 O95819 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
RARA P10276 1/20 0.35
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
PGR P06401 1/20 0.33
CHRM1 P11229 1/20 0.33
PDE4A P27815 1/20 0.33
BLVRB P30043 1/20 0.33
TARBP2 Q15633 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL1406801 0.93 RARB (0.44) NR1H4XDHRXRARXRBRXRG
SCHEMBL1406977 0.88 RXRA (0.41) XDHRXRARXRBRXRGMAP4K4
SCHEMBL1406961 0.81 RARA (0.39) NR1H4XDHRXRARXRBRXRG
SCHEMBL1406883 0.81 RARA (0.39) NR1H4XDHRXRARXRBRXRG
SCHEMBL1407045 0.81 RXRA (0.45) NR1H4XDHRXRARXRBRXRG
SCHEMBL1406262 0.81 RARB (0.39) RXRARXRBRXRGMAP4K4RARB
SCHEMBL1407006 0.77 RARG (0.35) RXRARXRBRXRGMAP4K4RARB
SCHEMBL1406372 0.77 MAP4K4 (0.36) RXRARXRBRXRGMAP4K4RARB
SCHEMBL1406374 0.76 RARG (0.34) RXRARXRBRXRGMAP4K4RARB
SCHEMBL1406320 0.76 RXRA (0.41) XDHRXRARXRBRXRGMAP4K4

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 NR1H4 74/4885XDH 819/4885RXRA 4/4885

“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.