SCHEMBL5043958

SCHEMBL5043958

CN(C)c1ccc(CN(C)c2cc(C(O)C#Cc3ccc(C(=O)NO)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.40
HDAC1 Q13547 12/20 0.40
HDAC8 Q9BY41 5/20 0.37
HDAC3 O15379 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
ACACB O00763 1/20 0.34
RXRA P19793 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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 0.95 HDAC6 (0.37) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL5049731 0.93 HDAC1 (0.37) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL5047239 0.92 ACACB (0.37) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL5044013 0.92 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL5047284 0.91 RARB (0.41) RXRA
SCHEMBL5047123 0.90 OPRM1 (0.33) ACACBRXRA
SCHEMBL5044026 0.89 ACACB (0.35) ACACBRXRA
SCHEMBL5047219 0.85 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL5043959 0.85 ACACB (0.38) ACACB
SCHEMBL5047234 0.85 HDAC1 (0.39) HDAC6HDAC1HDAC8HDAC3HDAC7

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 HDAC6 2024/4885HDAC1 675/4885HDAC8 985/4885

“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.