SCHEMBL4840328

SCHEMBL4840328

O=C(O)Cc1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.54
FFAR4 Q5NUL3 3/20 0.54
MAOB P27338 4/20 0.51
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.49
PPARD Q03181 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CFD P00746 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL29592409 1.00 FFAR1 (0.54) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL29593701 0.86 MAOB (0.50) FFAR1FFAR4MAOBMRGPRX4CTSV
SCHEMBL5045300 0.85 FFAR1 (0.51) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL3813849 0.84 PTGER1 (0.54) FFAR1FFAR4MAOBNR4A2NR4A1
SCHEMBL14194528 0.83 ALOX5 (0.53) FFAR1FFAR4MAOBMRGPRX4ALOX5
SCHEMBL3770492 0.83 MAOB (0.55) FFAR1FFAR4MAOBNR4A2MRGPRX4
SCHEMBL27634848 0.83 ALOX5 (0.53) FFAR1FFAR4MAOBNR4A2MRGPRX4
SCHEMBL28123954 0.83 FFAR1 (0.47) FFAR1FFAR4MAOBMRGPRX4ALOX5
SCHEMBL29592445 0.83 MAOB (0.49) FFAR1FFAR4MAOBMRGPRX4ALOX5
SCHEMBL21382927 0.82 NR4A2 (0.54) FFAR1FFAR4MAOBNR4A2NR4A1

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 7 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
EP-1485368-A1 SUBSTITUTED CHROMAN DERIVATIVES HAVING CYTOCHROME P450RAI INHIBITORY ACTIVITY Allergan, Inc. (US) 2004-12-15 EP disclosed
US-6740676-B2 TREATING DISEASES CONTROLLED BY OR RESPONSIVE TO RETINOIC ACID ALLERGAN, INC. 2004-05-25 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
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
US-20030191181-A1 4-[(8-Ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-benzoic and 2-[4-[(8-ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-phenyl]-acetic acid, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. 2003-10-09 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 (3 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-20030191181-A1 4-[(8-Ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-benzoic and 2-[4-[(8-ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-phenyl]-acetic acid, their esters and salts having cytochrome P450RAI inhibitory activity RXRA, RARA, CYP26A1 FFAR1 48/4885FFAR4 121/4885MAOB 1115/4885
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA FFAR1 439/4885FFAR4 1268/4885MAOB 616/4885
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 FFAR1 69/4885FFAR4 106/4885MAOB 660/4885

“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.