SCHEMBL5047211

SCHEMBL5047211

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.34
NAMPT P43490 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
ADAMTS4 O75173 7/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
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
SCHEMBL5048404 0.93 ALDH1A1 (0.35) ACACBNAMPTALDH1A1ADAMTS4CYP26A1
SCHEMBL5044029 0.92 CDK1 (0.34) ACACBCYP26B1RXRARXRBRXRG
SCHEMBL5048377 0.92 NSD2 (0.38) ACACBNAMPTADAMTS4RXRACYP3A4
SCHEMBL5048388 0.91 RARB (0.41) CYP26B1RXRARXRBRXRGCYP26A1
SCHEMBL5047238 0.90 VNN1 (0.36) ACACBMAPTNPC1ALDH1A1RAB9A
SCHEMBL5047209 0.90 ALDH1A1 (0.37) ACACBNAMPTMAPTNPC1ALDH1A1
SCHEMBL5047219 0.90 HDAC6 (0.40) ALDH1A1RXRA
SCHEMBL6411748 0.87 HDAC1 (0.37) ACACBMAPTALDH1A1
SCHEMBL6360631 0.86 CDK1 (0.33)
SCHEMBL5047283 0.85 CDK1 (0.34) ACACBNAMPTALDH1A1CYP26A1CYP3A4

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 2255/4885NAMPT 1517/4885MAPT 4731/4885

“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.