SCHEMBL4847816

SCHEMBL4847816

CCOC(=O)c1cc(C#N)c2c(c1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 6/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HSD17B10 Q99714 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4507564 0.85 CYP26A1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL14499546 0.84 CYP26A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4847728 0.83 CYP26A1 (0.41) CYP26A1CYP26B1ALDH1A1HPGDRARA
SCHEMBL4529435 0.82 CYP26A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL14223666 0.81 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL4518725 0.80 CYP26A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL14194542 0.79 CYP26A1 (0.35) CYP26A1CYP26B1ALDH1A1HPGDRARA
SCHEMBL7156956 0.78 NPC1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL4844140 0.75 CYP26A1 (0.41) CYP26A1CYP26B1
SCHEMBL14223681 0.74 CYP26A1 (0.33) CYP26A1CYP26B1ALDH1A1KMT2AMEN1

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
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 CA12 2117/4885CA1 1413/4885CA2 1588/4885
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 CA12 2115/4885CA1 1081/4885CA2 554/4885

“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.