SCHEMBL4849342

SCHEMBL4849342

C#Cc1cc(C#Cc2ccc(CC(=O)O)c(F)c2)cc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.40
CYP26B1 Q9NR63 3/20 0.40
FFAR1 O14842 16/20 0.37
FFAR4 Q5NUL3 13/20 0.37
AKR1B1 P15121 1/20 0.34
TSPO P30536 1/20 0.33
DRD3 P35462 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
SCHEMBL14194567 0.89 GRM5 (0.32) CYP26A1CYP26B1FFAR1FFAR4
SCHEMBL4528034 0.87 CYP26A1 (0.41) CYP26A1CYP26B1FFAR1FFAR4AKR1B1
SCHEMBL4850944 0.85 CYP26A1 (0.49) CYP26A1CYP26B1FFAR1AKR1B1
SCHEMBL14223663 0.85 CYP26A1 (0.41) CYP26A1CYP26B1FFAR4AKR1B1
SCHEMBL5736370 0.84 CYP26A1 (0.50) CYP26A1CYP26B1FFAR1FFAR4AKR1B1
SCHEMBL5735934 0.83 AKR1B1 (0.45) CYP26A1CYP26B1FFAR1FFAR4AKR1B1
SCHEMBL4511991 0.81 CYP26A1 (0.39) CYP26A1CYP26B1FFAR1FFAR4
SCHEMBL4511996 0.81 CYP26A1 (0.39) CYP26A1CYP26B1FFAR1FFAR4AKR1B1
SCHEMBL4846276 0.80 CYP26A1 (0.41) CYP26A1CYP26B1AKR1B1
SCHEMBL4841336 0.79 CYP26A1 (0.34) CYP26A1CYP26B1FFAR1FFAR4

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-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
EP-1485368-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY Allergan, Inc. (US) 2004-12-15 EP 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
US-20030207937-A1 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. 2003-11-06 US disclosed
WO-2003080594-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY ALLERGAN, INC. (US) 2003-10-02 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 (2 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
US-20030207937-A1 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 RXRA, RARA, CYP26A1 CYP26A1 3/4885CYP26B1 7/4885FFAR1 69/4885

“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.