SCHEMBL4946310

SCHEMBL4946310

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
CYP3A4 P08684 4/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP26A1 O43174 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 0.92 MAPT (0.41) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4946956 0.91 MAPT (0.41) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4945300 0.91 CYP3A4 (0.41) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4943814 0.91 NR4A2 (0.44) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4946301 0.91 CYP3A4 (0.39) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4948201 0.90 CYP3A4 (0.39) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4946950 0.89 MRGPRX4 (0.42) RAB9ACYP3A4MRGPRX4MAPTLMNA
SCHEMBL4946321 0.89 MAPT (0.40) RAB9ACYP3A4MRGPRX4MAPTLMNA
SCHEMBL4942407 0.88 CYP3A4 (0.40) RAB9ANPC1CYP3A4MRGPRX4MAPT
SCHEMBL4945312 0.88 MRGPRX4 (0.43) RAB9ACYP3A4MRGPRX4MAPTLMNA

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 RAB9A 1437/4885NPC1 3016/4885CYP3A4 2257/4885

“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.