SCHEMBL5047276

SCHEMBL5047276

CCN(C)C(=O)c1ccc(C#CC(O)c2cc(N(C)Cc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.36
HNF4A P41235 1/20 0.34
LIMK2 P53671 2/20 0.33
LIMK1 P53667 1/20 0.33
CYP26A1 O43174 2/20 0.32
CYP3A4 P08684 2/20 0.32
MMP13 P45452 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
CRABP2 P29373 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5048375 0.93 NSD2 (0.41) ACACBLIMK2CYP26A1CYP3A4RARA
SCHEMBL5044026 0.93 ACACB (0.35) ACACBCYP26A1CYP3A4RARARARB
SCHEMBL5044014 0.91 HNF4A (0.43) HNF4ACYP26A1CYP3A4RARARARB
SCHEMBL5050668 0.90 HNF4A (0.35) ACACBHNF4ACYP26A1CYP3A4RARA
SCHEMBL5043959 0.89 ACACB (0.38) ACACBHNF4ACYP26A1CYP3A4RARA
SCHEMBL5049731 0.89 HDAC1 (0.37) HNF4ARXRA
SCHEMBL5048404 0.85 ALDH1A1 (0.35) ACACBHNF4ACYP26A1CYP3A4RARA
SCHEMBL5043968 0.85 CYP3A4 (0.34) ACACBHNF4ACYP26A1CYP3A4RARA
SCHEMBL5044050 0.85 ACACB (0.33) ACACBHNF4ACYP26A1CYP3A4RARA
SCHEMBL5048406 0.83 RARB (0.41) HNF4ACYP26A1CYP3A4RARARARB

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 ACACB 2255/4885HNF4A 876/4885LIMK2 4101/4885

“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.