SCHEMBL5043968

SCHEMBL5043968

CCN(C)C(=O)c1ccc(C#CC(O)c2cc(OCc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
CYP26A1 O43174 2/20 0.34
CYP26B1 Q9NR63 1/20 0.34
ACACB O00763 2/20 0.33
HNF4A P41235 2/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
CRABP2 P29373 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL5048393 0.93 CYP26B1 (0.33) CYP3A4CYP26A1CYP26B1ACACBHNF4A
SCHEMBL5047052 0.93 KMT2A (0.38) CYP3A4CYP26A1CYP26B1ACACBHNF4A
SCHEMBL5047094 0.89 CYP26A1 (0.44) CYP3A4CYP26A1CYP26B1HNF4ARARA
SCHEMBL5049705 0.88 PARP10 (0.44) CYP3A4CYP26A1CYP26B1HNF4AKMT2A
SCHEMBL5047191 0.87 LMNA (0.38) CYP3A4CYP26A1CYP26B1ACACBHNF4A
SCHEMBL5044062 0.87 HDAC1 (0.41) CYP3A4CYP26A1CYP26B1HNF4AALDH1A1
SCHEMBL6360631 0.85 CDK1 (0.33)
SCHEMBL5047276 0.85 ACACB (0.36) CYP3A4CYP26A1CYP26B1ACACBHNF4A
SCHEMBL5044050 0.84 ACACB (0.33) CYP3A4CYP26A1CYP26B1ACACBHNF4A
SCHEMBL5048404 0.84 ALDH1A1 (0.35) CYP3A4CYP26A1ACACBHNF4AALDH1A1

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 4 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

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 2257/4885CYP26A1 252/4885CYP26B1 323/4885

“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.