SCHEMBL4847652

SCHEMBL4847652

CC(=O)c1cc(C#C[Si](C)(C)C)c2c(c1)CCCO2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.32
WNT3A P56704 3/20 0.32
NOTUM Q6P988 1/20 0.30

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
SCHEMBL4846263 0.76
SCHEMBL4851347 0.75 CTNNB1 (0.36) CTNNB1WNT3ANOTUM
SCHEMBL14194549 0.73 GRM5 (0.38)
SCHEMBL7136286 0.72 PTGS2 (0.52) CTNNB1WNT3A
SCHEMBL4847695 0.72 CREBBP (0.39)
SCHEMBL4851383 0.70 ALDH1A1 (0.39) CTNNB1WNT3ANOTUM
SCHEMBL1726294 0.65 CTNNB1 (0.61) CTNNB1WNT3A
SCHEMBL4844028 0.64 ALDH1A1 (0.40) CTNNB1WNT3A
SCHEMBL14194525 0.64 KDM4E (0.38) CTNNB1WNT3A
SCHEMBL29150821 0.63 MAPT (0.44) CTNNB1WNT3A

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 5 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-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 CTNNB1 3935/4885WNT3A 2165/4885NOTUM 1129/4885
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 CTNNB1 3415/4885WNT3A 1357/4885NOTUM 2326/4885

“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.