SCHEMBL5047103

SCHEMBL5047103

CC1(C)CCC(C)(C)c2c(SCc3ccc(F)cc3)cc(C(O)C#Cc3ccc(C(=O)NO)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.41
HDAC1 Q13547 12/20 0.41
HDAC3 O15379 7/20 0.34
HDAC4 P56524 7/20 0.34
HDAC7 Q8WUI4 7/20 0.34
HDAC2 Q92769 7/20 0.34
HDAC10 Q969S8 7/20 0.34
HDAC11 Q96DB2 7/20 0.34
HDAC8 Q9BY41 7/20 0.34
HDAC9 Q9UKV0 7/20 0.34
HDAC5 Q9UQL6 7/20 0.34
RXRA P19793 1/20 0.34
NCOR2 Q9Y618 6/20 0.34
ABL1 P00519 3/20 0.33
SRC P12931 3/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL5043957 0.93 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5049648 0.92 LMNA (0.36) HDAC6HDAC1ABL1SRCKCNQ3
SCHEMBL5047010 0.91 RARB (0.42) RXRA
SCHEMBL5047234 0.90 HDAC1 (0.39) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5050717 0.90 TSHR (0.36) RXRAKCNQ3KCNQ2CXCR2
SCHEMBL5047098 0.87 NSD2 (0.36) CXCR2
SCHEMBL5048405 0.85 KMT2A (0.37)
SCHEMBL5047254 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5047163 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5050769 0.83 RARB (0.43) RXRA

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 675/4885HDAC3 1951/4885

“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.