SCHEMBL7548006

SCHEMBL7548006

CCc1cc(C(c2ccc(CC(=O)O)cc2)C(C)C)cc2c1OCCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 12/20 0.45
CYP26B1 Q9NR63 10/20 0.45
RXRA P19793 4/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
CYP3A4 P08684 1/20 0.33
HNF4A P41235 2/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL6146899 0.68 CYP26A1 (0.69) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL18211734 0.66 PTGS1 (0.41) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL7548008 0.64 CYP26A1 (0.59) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL5737183 0.62 CYP26A1 (0.56) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL22838106 0.62 CYP26A1 (1.00) CYP26A1CYP26B1CYP3A4RARARARB
SCHEMBL6148042 0.62 CYP26A1 (0.71) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL503594 0.61 CA2 (0.52) RXRARXRBRXRGRARB
SCHEMBL10137814 0.60 CA2 (0.56) RXRARXRBRXRG
SCHEMBL909093 0.60 CA2 (0.56) RXRARXRB
SCHEMBL10174246 0.59 ALDH1A1 (0.57)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-19 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-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG CYP26A1 4/4885CYP26B1 5/4885RXRA 7/4885

“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.