SCHEMBL4946321

SCHEMBL4946321

COC(=O)c1ccc(C#C[Se]c2cc(OCc3cccc(C)c3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 5/20 0.40
MAOB P27338 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.39
CYP26A1 O43174 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX12 P18054 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL4944815 0.93 MAPT (0.41) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4942429 0.91 RARB (0.43) CYP3A4MAOBMRGPRX4CYP26A1NR1H4
SCHEMBL4945312 0.91 MRGPRX4 (0.43) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4942407 0.89 CYP3A4 (0.40) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4946310 0.89 RAB9A (0.44) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4945300 0.89 CYP3A4 (0.41) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4946956 0.89 MAPT (0.41) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4946301 0.88 CYP3A4 (0.39) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4948201 0.87 CYP3A4 (0.39) MAPTLMNARAB9AL3MBTL1CYP3A4
SCHEMBL4946950 0.87 MRGPRX4 (0.42) MAPTLMNARAB9AL3MBTL1CYP3A4

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-1513803-B1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RES & DEV (FR) 2008-06-18 EP disclosed
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 MAPT 4731/4885LMNA 3890/4885RAB9A 1437/4885

“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.