SCHEMBL5048441

SCHEMBL5048441

Cc1ccc(CNc2cc(C(O)C#Cc3ccc(C(=O)NO)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.39
HDAC1 Q13547 9/20 0.38
HDAC8 Q9BY41 7/20 0.38
HDAC3 O15379 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
RXRA P19793 1/20 0.37
NCOR2 Q9Y618 2/20 0.36
KDM1A O60341 1/20 0.36
HNF4A P41235 1/20 0.35

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
SCHEMBL5047254 0.92 HDAC6 (0.41) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5050785 0.92 ACACB (0.37) HDAC1HNF4A
SCHEMBL5049736 0.92 HDAC8 (0.40) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5050771 0.91 HNF4A (0.43) RXRAHNF4A
SCHEMBL5047219 0.91 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5047000 0.91 VNN1 (0.39) HNF4A
SCHEMBL5048404 0.88 ALDH1A1 (0.35) HNF4A
SCHEMBL6411748 0.87 HDAC1 (0.37) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5048383 0.84 ACACB (0.36) HDAC6HDAC1
SCHEMBL5044024 0.84 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC3HDAC4

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 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.