SCHEMBL1407045

SCHEMBL1407045

CC(C)(C)c1ccc(-c2cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc(OCc3ccccc3)c2C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.45
RXRB P28702 5/20 0.45
NR4A2 P43354 3/20 0.45
RXRG P48443 4/20 0.43
XDH P47989 3/20 0.43
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
PTGER1 P34995 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MAP4K4 O95819 1/20 0.41
NR4A1 P22736 2/20 0.40
NR4A3 Q92570 2/20 0.40
NR1H4 Q96RI1 3/20 0.40
RARA P10276 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
SCHEMBL1406977 0.93 RXRA (0.41) RXRARXRBNR4A2RXRGXDH
SCHEMBL1406801 0.88 RARB (0.44) RXRARXRBNR4A2RXRGXDH
SCHEMBL1406882 0.82 RXRA (0.46) RXRARXRBNR4A2RXRGXDH
SCHEMBL1406510 0.82 RXRA (0.46) RXRARXRBNR4A2RXRGXDH
SCHEMBL1406368 0.81 NR1H4 (0.39) RXRARXRBRXRGXDHRARB
SCHEMBL1406320 0.79 RXRA (0.41) RXRARXRBNR4A2RXRGXDH
SCHEMBL1406917 0.79 RARB (0.48) RXRARXRBNR4A2RXRGRARB
SCHEMBL5047038 0.78 RXRA (0.46) RXRARXRBNR4A2RXRGXDH
SCHEMBL1406741 0.78 RARB (0.42) RXRARXRBNR4A2RXRGRARB
SCHEMBL1406441 0.78 RARB (0.42) RXRARXRBNR4A2RXRGRARB

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 9 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-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO 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
EP-1513793-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101928-A1 NOVEL LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 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-20050131033-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG RXRA 4/4885RXRB 5/4885NR4A2 34/4885

“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.