SCHEMBL3137381

SCHEMBL3137381

CC(C)Oc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL9722263 0.83 MAPT (0.51) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL4368126 0.80 MAPT (0.67) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL29484215 0.80 MAPT (0.67) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL8922305 0.80 MAPT (0.39) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL8922297 0.80 MAPT (0.39) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL9306308 0.77 MAPT (0.62) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL12953342 0.77 MAPT (0.48) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL3559913 0.76 CRHBP (0.68) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL29878741 0.76 CRHBP (0.68) MAPTMAPK1ALDH1A1TP53HPGD
SCHEMBL25192247 0.75 MEN1 (0.64) MAPTMAPK1ALDH1A1TP53HPGD

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
US-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
EP-2102177-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071944-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100004301-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 MAPT 270/4885MAPK1 152/4885ALDH1A1 1647/4885

“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.