SCHEMBL5049705

SCHEMBL5049705

Cc1ccc(COc2cc(C(O)C#Cc3ccc(C(N)=O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.44
CYP26A1 O43174 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP26B1 Q9NR63 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HNF4A P41235 1/20 0.34
MAOB P27338 3/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
CRABP2 P29373 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
PLK1 P53350 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 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
SCHEMBL5050779 0.92 PARP10 (0.43) PARP10CYP26A1CYP3A4CYP26B1PARP1
SCHEMBL5047094 0.92 CYP26A1 (0.44) CYP26A1CYP3A4CYP26B1HNF4ARARA
SCHEMBL5047118 0.91 SIRT2 (0.36) PARP10CYP26A1CYP3A4CYP26B1PARP1
SCHEMBL5044062 0.90 HDAC1 (0.41) CYP26A1CYP3A4CYP26B1ALDH1A1MAPT
SCHEMBL5043968 0.88 CYP3A4 (0.34) PARP10CYP26A1CYP3A4CYP26B1ALDH1A1
SCHEMBL5047191 0.88 LMNA (0.38) CYP26A1CYP3A4CYP26B1ALDH1A1MAPT
SCHEMBL6409602 0.87 LMNA (0.34) PARP10ALDH1A1MAPTMAPK1SIRT2
SCHEMBL6411049 0.86 PARP10 (0.33) PARP10ALDH1A1MAPTMAPK1HNF4A
SCHEMBL6412048 0.86 SIRT2 (0.38) ALDH1A1MAPTSIRT2SIRT1SIRT3
SCHEMBL5047049 0.84 CYP26A1 (0.43) CYP26A1CYP3A4CYP26B1HNF4ARARA

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 6 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 claimed
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 claimed
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 PARP10 1858/4885CYP26A1 252/4885CYP3A4 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.