SCHEMBL4946956

SCHEMBL4946956

COC(=O)c1ccc(C#C[Se]c2cc(OCc3ccc(F)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP26A1 O43174 2/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN7 P35236 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAOB P27338 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4945312 0.93 MRGPRX4 (0.43) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4946301 0.93 CYP3A4 (0.39) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4944815 0.92 MAPT (0.41) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4946310 0.91 RAB9A (0.44) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4945300 0.91 CYP3A4 (0.41) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4947926 0.91 NR4A2 (0.44) CYP3A4CYP26A1KMT2APTPN7MRGPRX4
SCHEMBL4946950 0.91 MRGPRX4 (0.42) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4943119 0.90 MAOB (0.39) CYP3A4CYP26A1MAOB
SCHEMBL4948201 0.90 CYP3A4 (0.39) MAPTRAB9ALMNAL3MBTL1CYP3A4
SCHEMBL4946321 0.89 MAPT (0.40) MAPTRAB9ALMNAL3MBTL1CYP3A4

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 3 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

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 4731/4885RAB9A 1437/4885LMNA 3890/4885

“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.