SCHEMBL5043989

SCHEMBL5043989

CC1(C)CCC(C)(C)c2c(OCc3ccc(C(F)(F)F)cc3)cc(C(O)C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
CYP26A1 O43174 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP26B1 Q9NR63 1/20 0.42
HNF4A P41235 3/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.41
MRGPRX4 Q96LA9 4/20 0.41
NR4A2 P43354 1/20 0.41
CRABP2 P29373 1/20 0.40
MAOB P27338 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL5047038 0.93 RXRA (0.46) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL5047049 0.91 CYP26A1 (0.43) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL5047094 0.90 CYP26A1 (0.44) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL5047163 0.84 HDAC6 (0.41) RXRACYP26A1CYP3A4CYP26B1
SCHEMBL4945829 0.83 RXRA (0.46) RXRARXRBRXRGCYP26A1CYP3A4
SCHEMBL5050779 0.83 PARP10 (0.43) CYP26A1CYP3A4CYP26B1HNF4ARARB
SCHEMBL3070812 0.83 CYP26A1 (0.42) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL5044062 0.83 HDAC1 (0.41) RXRACYP26A1CYP3A4CYP26B1HNF4A
SCHEMBL5049705 0.82 PARP10 (0.44) CYP26A1CYP3A4CYP26B1HNF4ARARB
SCHEMBL5050793 0.82 BRD4 (0.37) MRGPRX4PPARGPPARD

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.