SCHEMBL5043997

SCHEMBL5043997

CN(C)c1ccc(CNc2cc(C(O)C#Cc3ccc(C(=O)O)c(O)c3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
RARG P13631 1/20 0.31
CRABP2 P29373 1/20 0.31
KLKB1 P03952 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
SCHEMBL5050766 0.92 RXRA (0.34) RXRARXRBRXRGRARARARB
SCHEMBL5047184 0.91 PLK1 (0.35) RXRARXRBRXRGRARARARB
SCHEMBL5044028 0.91 RARB (0.36) RXRARXRBRXRGRARARARB
SCHEMBL5048388 0.89 RARB (0.41) RXRARXRBRXRGRARARARB
SCHEMBL5050760 0.85 RXRA (0.35) RXRARXRBRXRGRARARARB
SCHEMBL5047238 0.85 VNN1 (0.36) RARARARBCYP26A1CYP3A4RARG
SCHEMBL5049716 0.84 RXRA (0.35) RXRARXRBRXRGRARARARB
SCHEMBL5047185 0.84 RXRA (0.35) RXRARXRBRXRGRARARARB
SCHEMBL5047219 0.84 HDAC6 (0.40) RXRA
SCHEMBL1406633 0.84 RARB (0.36) RXRARXRBRXRGRARARARB

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 RXRA 4/4885RXRB 6/4885RXRG 5/4885

“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.