SCHEMBL5048419

SCHEMBL5048419

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
MCHR1 Q99705 2/20 0.34
ACKR3 P25106 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
EPHX2 P34913 3/20 0.33
ALOX5 P09917 2/20 0.33
HSP90AA1 P07900 2/20 0.33
S1PR2 O95136 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AOC3 Q16853 2/20 0.32
NSD2 O96028 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.32
HTR2C P28335 1/20 0.32
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 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
SCHEMBL5043959 0.93 ACACB (0.38) ACACBHSP90AA1AOC3LMNACYP26A1
SCHEMBL5047239 0.92 ACACB (0.37) ACACBHSP90AA1HDAC1HDAC6AOC3
SCHEMBL5044013 0.92 HDAC6 (0.40) HDAC1HDAC6
SCHEMBL5048406 0.90 RARB (0.41) PPARACYP26A1CYP3A4RARARARB
SCHEMBL6357454 0.89 HDAC6 (0.37) ACACBHSP90AA1HDAC1HDAC6
SCHEMBL5048375 0.89 NSD2 (0.41) ACACBMCHR1NSD2PPARACYP26A1
SCHEMBL5047223 0.89 NSD2 (0.34) EPHX2ALOX5NSD2PPARACYP26A1
SCHEMBL5049731 0.85 HDAC1 (0.37) HDAC1HDAC6
SCHEMBL5043958 0.84 HDAC6 (0.40) ACACBHDAC1HDAC6
SCHEMBL5048383 0.84 ACACB (0.36) ACACBEPHX2ALOX5HDAC1HDAC6

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 ACACB 2255/4885MCHR1 204/4885ACKR3 727/4885

“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.