SCHEMBL4946950

SCHEMBL4946950

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.42
CYP3A4 P08684 4/20 0.39
MAOB P27338 3/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP26A1 O43174 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDH1 O75874 1/20 0.36
SLC6A5 Q9Y345 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 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
SCHEMBL4948201 0.93 CYP3A4 (0.39) MRGPRX4CYP3A4MAPTLMNARAB9A
SCHEMBL4945829 0.92 RXRA (0.46) MRGPRX4CYP3A4MAOBCYP26A1RXRA
SCHEMBL4946956 0.91 MAPT (0.41) MRGPRX4CYP3A4MAOBMAPTLMNA
SCHEMBL4944815 0.90 MAPT (0.41) MRGPRX4CYP3A4MAPTLMNARAB9A
SCHEMBL4945300 0.89 CYP3A4 (0.41) MRGPRX4CYP3A4MAOBMAPTLMNA
SCHEMBL4946310 0.89 RAB9A (0.44) MRGPRX4CYP3A4MAOBMAPTLMNA
SCHEMBL4946301 0.89 CYP3A4 (0.39) MRGPRX4CYP3A4MAOBMAPTLMNA
SCHEMBL4945312 0.88 MRGPRX4 (0.43) MRGPRX4CYP3A4MAOBMAPTLMNA
SCHEMBL4946321 0.87 MAPT (0.40) MRGPRX4CYP3A4MAOBMAPTLMNA
SCHEMBL4942407 0.86 CYP3A4 (0.40) MRGPRX4CYP3A4MAPTLMNARAB9A

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 MRGPRX4 282/4885CYP3A4 2257/4885MAOB 2084/4885

“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.