SCHEMBL6208355

SCHEMBL6208355

COc1ccc(-c2nc(C(C)C)oc2-c2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.49
NOX1 Q9Y5S8 1/20 0.47
ESR1 P03372 1/20 0.46
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
PPARD Q03181 2/20 0.41
LTA4H P09960 1/20 0.41
DHFR P00374 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL6539632 0.88 ESR2 (0.45) ESR2NOX1ESR1MAPTTP53
SCHEMBL6539500 0.88 ESR2 (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6230071 0.88 ESR2 (0.47) ESR2NOX1ESR1MAPTTP53
SCHEMBL6539116 0.85 ESR2 (0.43) ESR2NOX1ESR1MAPTTP53
SCHEMBL6539669 0.84 KDM4E (0.41) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL13352330 0.84 CYP11B1 (0.42) NOX1MAPTMEN1KMT2AKDM4E
SCHEMBL6232653 0.82 ESR2 (0.46) ESR2NOX1ESR1MAPTTP53
SCHEMBL6233212 0.82 HSD17B1 (0.42) MEN1KMT2APPARD
SCHEMBL6538937 0.81 NPSR1 (0.51) MAPTMEN1KMT2AAPPKDM4E
SCHEMBL6231072 0.81 ESR2 (0.53) ESR2NOX1ESR1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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 (1 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ESR2 667/4885NOX1 295/4885ESR1 2518/4885

“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.