SCHEMBL6096494

SCHEMBL6096494

COc1ccc(CN2C(=O)COc3cc(CO)ccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.70
ALDH1A1 P00352 2/20 0.50
SMPD1 P17405 1/20 0.47
CMA1 P23946 1/20 0.47
BRD4 O60885 1/20 0.45
CBX7 O95931 1/20 0.45
CDYL2 Q8N8U2 1/20 0.45
CDYL Q9Y232 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
APAF1 O14727 1/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL6096108 0.89 L3MBTL1 (0.72) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL15176632 0.86 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL16794826 0.85 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMPD1CMA1CBX7
SCHEMBL16814286 0.83 L3MBTL1 (0.64) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL8554715 0.83 L3MBTL1 (1.00) L3MBTL1ALDH1A1SMPD1CMA1CBX7
SCHEMBL29790735 0.82 L3MBTL1 (0.62) L3MBTL1ALDH1A1ITGB3ITGA2B
SCHEMBL18581323 0.82 L3MBTL1 (0.62) L3MBTL1ALDH1A1ITGB3ITGA2B
SCHEMBL6098970 0.82 L3MBTL1 (0.61) L3MBTL1ALDH1A1SMPD1CMA1BRD4
SCHEMBL13973607 0.81 L3MBTL1 (0.44) L3MBTL1BRD4MEN1KMT2AMAPT
SCHEMBL15874599 0.80 L3MBTL1 (0.72) L3MBTL1ALDH1A1SMPD1CMA1BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101876-B2 Substituted benzoxazines as integrin antagonists PHARMACIA CORPORATION (US) 2006-09-05 US disclosed
US-20040224948-A1 Novel substituted benzoxazines as integrin antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2004-11-11 US disclosed
US-6750215-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-06-15 US disclosed
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists POLSTER, RACHEL A. 2003-04-17 US 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-20040224948-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 L3MBTL1 4235/4885ALDH1A1 620/4885SMPD1 946/4885
US-20030073688-A1 Novel substituted benzoxazines as integrin antagonists ITGB1, ITGA1, ITGB3 L3MBTL1 4235/4885ALDH1A1 620/4885SMPD1 946/4885

“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.