SCHEMBL6809650

SCHEMBL6809650

C#CCc1cc(C#Cc2ccc(CC(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 13/20 0.52
CYP26B1 Q9NR63 10/20 0.52
FFAR1 O14842 3/20 0.40
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RARG P13631 3/20 0.34
CYP3A4 P08684 1/20 0.34
CRABP2 P29373 1/20 0.34

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
SCHEMBL5737183 0.90 CYP26A1 (0.56) CYP26A1CYP26B1FFAR1RXRARXRB
SCHEMBL14194568 0.86 CYP26A1 (0.36) CYP26A1CYP26B1RARARARBRARG
SCHEMBL14223679 0.86 CYP26A1 (0.54) CYP26A1CYP26B1RXRARXRBRXRG
SCHEMBL4850944 0.86 CYP26A1 (0.49) CYP26A1CYP26B1FFAR1RXRARXRB
SCHEMBL13606647 0.82 CYP26A1 (0.50) CYP26A1CYP26B1FFAR1RXRARXRB
SCHEMBL4521493 0.82 CYP26A1 (0.49) CYP26A1CYP26B1FFAR1RXRARXRB
SCHEMBL4521499 0.82 CYP26A1 (0.49) CYP26A1CYP26B1FFAR1RXRARXRB
SCHEMBL4846245 0.81 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL5736403 0.81 CYP26A1 (0.61) CYP26A1CYP26B1FFAR1RXRARXRB
SCHEMBL4849313 0.79 CYP26A1 (0.42) CYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A ALLERGAN, INC. 2004-04-22 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-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA CYP26A1 5/4885CYP26B1 8/4885FFAR1 439/4885

“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.