SCHEMBL4840332

SCHEMBL4840332

CC(=O)Oc1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.55
MAOB P27338 7/20 0.55
PPARD Q03181 7/20 0.55
PTPN1 P18031 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL18487566 0.89 FFAR1 (0.52) FFAR1MAOBPPARDPTPN1MRGPRX4
SCHEMBL27819671 0.86 PARP10 (0.52) FFAR1MAOBPPARDMRGPRX4
SCHEMBL8000403 0.86 MAOB (0.57) MAOBPTPN1
SCHEMBL4363943 0.86 MAOB (0.57) MAOBPTPN1
SCHEMBL4847906 0.84 PTPN1 (0.63) FFAR1MAOBPPARDPTPN1MRGPRX4
SCHEMBL12987826 0.83 MAOB (0.55) MAOBPTPN1MRGPRX4
SCHEMBL19712578 0.83 MAOB (0.55) MAOBPTPN1
SCHEMBL6195352 0.83 MAOB (0.55) MAOBPTPN1MRGPRX4
SCHEMBL8896538 0.82 PTPN1 (0.63) MAOBPTPN1MRGPRX4
SCHEMBL4841858 0.81 ALDH1A1 (0.54) MAOBPTPN1

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 48/4885MAOB 1115/4885PPARD 295/4885
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA FFAR1 439/4885MAOB 616/4885PPARD 902/4885
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 69/4885MAOB 660/4885PPARD 109/4885

“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.