SCHEMBL5048404

SCHEMBL5048404

CCN(C)C(=O)c1ccc(C#CC(O)c2cc(NCc3ccc(C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ACACB O00763 6/20 0.35
NAMPT P43490 1/20 0.34
VNN1 O95497 1/20 0.34
HNF4A P41235 1/20 0.34
ADAMTS4 O75173 9/20 0.33
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 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

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
SCHEMBL5047211 0.93 ACACB (0.34) ALDH1A1ACACBNAMPTADAMTS4CYP26A1
SCHEMBL5048377 0.93 NSD2 (0.38) ACACBNAMPTVNN1HNF4AADAMTS4
SCHEMBL5047283 0.92 CDK1 (0.34) ALDH1A1ACACBNAMPTHNF4ACYP26A1
SCHEMBL5050771 0.89 HNF4A (0.43) ACACBHNF4ACYP26A1CYP3A4RARA
SCHEMBL5047000 0.88 VNN1 (0.39) ACACBVNN1HNF4ACYP26A1CYP3A4
SCHEMBL5050785 0.88 ACACB (0.37) ALDH1A1ACACBVNN1HNF4A
SCHEMBL5048441 0.88 HDAC6 (0.39) HNF4A
SCHEMBL5044029 0.85 CDK1 (0.34) ACACBCYP26A1CYP3A4RARARARB
SCHEMBL5048379 0.85 NSD2 (0.37) ACACBCYP26A1CYP3A4RARARARB
SCHEMBL5047276 0.85 ACACB (0.36) ALDH1A1ACACBHNF4ACYP26A1CYP3A4

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 ALDH1A1 113/4885ACACB 2255/4885NAMPT 1517/4885

“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.