SCHEMBL5044048

SCHEMBL5044048

C#CC(O)c1cc(OCc2ccc(C(C)(C)C)cc2)c2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35
CARM1 Q86X55 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
XDH P47989 2/20 0.33
APP P05067 1/20 0.33
SCN9A Q15858 1/20 0.32
PRMT5 O14744 1/20 0.31
EGFR P00533 1/20 0.31
CYP26A1 O43174 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP26B1 Q9NR63 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL5043999 0.91 MAOB (0.38) RXRARXRBRXRGMRGPRX4MAOB
SCHEMBL5048450 0.89 MAOB (0.34) RAB9ACYP26A1CYP3A4CYP26B1MAOB
SCHEMBL5049671 0.88 MAOB (0.36) RAB9AL3MBTL1CARM1MAOB
SCHEMBL5047038 0.81 RXRA (0.46) NR4A2RAB9AL3MBTL1NR4A1NR4A3
SCHEMBL1406785 0.78 AKR1C3 (0.34) RXRARXRBRXRG
SCHEMBL3052879 0.77 CYP26A1 (0.32) EGFRCYP26A1CYP3A4CYP26B1
SCHEMBL3070345 0.75 RXRA (0.33) RXRACYP26A1CYP3A4CYP26B1
SCHEMBL5048414 0.75 L3MBTL1 (0.38) NR4A2RAB9AL3MBTL1NR4A1NR4A3
SCHEMBL3068786 0.75 RXRA (0.33) RXRACYP26A1CYP3A4CYP26B1
SCHEMBL3053328 0.75 RXRA (0.33) RXRACYP26A1CYP3A4CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326803-B2 Ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-02-05 US disclosed
US-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-07-07 US disclosed
EP-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP disclosed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS 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-20050148670-A1 Novel ligand inhibitors of the RAR receptors, process for preparing same and therapeutic/cosmetic applications thereof RARA, RARB, RARG NR4A2 33/4885RAB9A 1437/4885L3MBTL1 4756/4885

“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.