SCHEMBL4463307

SCHEMBL4463307

CCOC(=O)c1ccc2c(c1)OC(c1cccc(OC)c1)(c1cccc(OC)c1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
EGFR P00533 1/20 0.44
ERBB3 P21860 1/20 0.44
HSD17B2 P37059 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CTNNB1 P35222 2/20 0.42

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
SCHEMBL4464912 0.85 TRPV1 (0.48) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4460431 0.84 HCAR2 (0.49) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL4470553 0.78 CA12 (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4479795 0.78 CA12 (0.44) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1248647 0.77 SMN1; SMN2 (0.65) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4466654 0.76 CNR1 (0.71) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL703438 0.76 CA12 (0.53) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29214587 0.74 CTNNB1 (0.54) MAPTNPC1RAB9AALDH1A1HSD17B2
SCHEMBL12482945 0.72 CA12 (0.49) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9938937 0.72 SMN1; SMN2 (0.59) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 MAPT 4230/4885SMN1; SMN2 3267/4885NPC1 961/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 MAPT 4527/4885SMN1; SMN2 3008/4885NPC1 519/4885

“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.