SCHEMBL5047246

SCHEMBL5047246

CCNC(=O)c1ccc(C#CC(O)c2cc(NCCc3ccc(N(C)C)cc3)c3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 6/20 0.36
ESRRB O95718 1/20 0.36
ACACB O00763 2/20 0.35
CDK1 P06493 1/20 0.34
NAMPT P43490 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HAT1 O14929 4/20 0.32
EP300 Q09472 4/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 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
SCHEMBL5047209 0.92 ALDH1A1 (0.37) ACACBNAMPTCTSLCTSBCTSS
SCHEMBL5043960 0.92 HDAC1 (0.39) CDK1NAMPTCTSLCTSBCTSS
SCHEMBL5043961 0.92 RAB9A (0.37) ACACBCDK1NAMPTHTTKDM4E
SCHEMBL5048421 0.91 EPHX2 (0.40) ACACBNAMPTALOX5EPHX2ALDH1A1
SCHEMBL5047294 0.91 RARB (0.40)
SCHEMBL5044029 0.90 CDK1 (0.34) ACACBCDK1
SCHEMBL5047129 0.90 SIRT2 (0.32) ACACBCDK1CTSLCTSBCTSS
SCHEMBL6411748 0.90 HDAC1 (0.37) ACACBCTSLCTSBCTSSHTT
SCHEMBL6351939 0.85 RARB (0.46)
SCHEMBL5047239 0.85 ACACB (0.37) ESRRGACACBCTSLCTSBCTSS

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 ESRRG 69/4885ESRRB 30/4885ACACB 2255/4885

“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.