SCHEMBL5043943

SCHEMBL5043943

COC(=O)c1ccc(C#C[Se]c2cc(OCc3cccc4ccccc34)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
PARP10 Q53GL7 2/20 0.37
CYP26A1 O43174 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PARP15 Q460N3 1/20 0.35
FDPS P14324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PRMT5 O14744 1/20 0.33
EGFR P00533 1/20 0.33
MAPT P10636 3/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CYP19A1 P11511 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5050818 0.92 RARB (0.41) CYP3A4PARP10CYP26A1MEN1KMT2A
SCHEMBL4942407 0.87 CYP3A4 (0.40) CYP3A4CYP26A1MEN1KMT2ASMN1; SMN2
SCHEMBL5043985 0.86 FDPS (0.40) CYP3A4PARP10CYP26A1MEN1KMT2A
SCHEMBL4946321 0.84 MAPT (0.40) CYP3A4CYP26A1MEN1KMT2ASMN1; SMN2
SCHEMBL4944815 0.84 MAPT (0.41) CYP3A4CYP26A1MEN1KMT2ASMN1; SMN2
SCHEMBL4943119 0.84 MAOB (0.39) CYP3A4CYP26A1
SCHEMBL4945312 0.84 MRGPRX4 (0.43) CYP3A4PARP10CYP26A1MAPTLMNA
SCHEMBL4946310 0.83 RAB9A (0.44) CYP3A4CYP26A1MEN1KMT2ASMN1; SMN2
SCHEMBL4945300 0.83 CYP3A4 (0.41) CYP3A4CYP26A1MEN1KMT2ASMN1; SMN2
SCHEMBL4946956 0.83 MAPT (0.41) CYP3A4CYP26A1MEN1KMT2ASMN1; SMN2

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 2 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

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 CYP3A4 2257/4885PARP10 1858/4885CYP26A1 252/4885

“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.