SCHEMBL4847706

SCHEMBL4847706

C#CC1CCc2cccc([Si](C)(C)C)c2O1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
BCHE P06276 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ACHE P22303 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR6 P50406 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4846273 0.77
SCHEMBL7948821 0.70 CA2 (0.41) MAOAMAOBBCHEADRA2BADRA2C
SCHEMBL9006852 0.67 ESR1 (0.34)
SCHEMBL10917206 0.62 DRD2 (0.38) L3MBTL1
SCHEMBL14781303 0.57
SCHEMBL10262925 0.57 L3MBTL1 (0.47) MAOAMAOBTDP1L3MBTL1
SCHEMBL19774273 0.57 CHRM3 (0.42) ADRA1A
SCHEMBL8765428 0.57 IDO1 (0.32)
SCHEMBL3349343 0.56 HPGD (0.38) L3MBTL1
SCHEMBL18428892 0.56 POLL (0.40)

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 MAOA 299/4885MAOB 616/4885BCHE 607/4885
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 MAOA 191/4885MAOB 660/4885BCHE 1260/4885

“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.