SCHEMBL5047239

SCHEMBL5047239

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
AOC3 Q16853 2/20 0.32
ESRRG P62508 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 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
SCHEMBL6357454 0.97 HDAC6 (0.37) ACACBKDM4EALDH1A1HTTHSP90AA1
SCHEMBL5043959 0.93 ACACB (0.38) ACACBKDM4EALDH1A1HTTHSP90AA1
SCHEMBL5048419 0.92 ACACB (0.37) ACACBHSP90AA1AOC3HDAC1HDAC6
SCHEMBL5043958 0.92 HDAC6 (0.40) ACACBRXRAHDAC3HDAC4HDAC1
SCHEMBL5047284 0.90 RARB (0.41) RXRARXRBRXRGCYP26B1
SCHEMBL5044026 0.89 ACACB (0.35) ACACBALDH1A1RXRARXRBRXRG
SCHEMBL5047123 0.89 OPRM1 (0.33) ACACBROCK2RXRARXRBRXRG
SCHEMBL5047209 0.86 ALDH1A1 (0.37) ACACBKDM4EALDH1A1HTTCTSL
SCHEMBL5047206 0.85 MAPT (0.35) ACACBKDM4EALDH1A1HTTCTSL
SCHEMBL5047199 0.85 BRD4 (0.35) ACACBKDM4EALDH1A1HTTCTSL

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 2255/4885KDM4E 3068/4885ALDH1A1 113/4885

“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.