SCHEMBL4516680

SCHEMBL4516680

CCOc1ccc(-c2[c]cc(OC)c(OC)c2OC)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41

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
SCHEMBL4044331 0.72 ABCB1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8973886 0.72 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5618570 0.71 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11842385 0.71 RAB9A (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7745381 0.70 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23671617 0.70 TUBB1 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29815036 0.70 TUBB1 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3754614 0.70 TUBB1 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL23671618 0.70 TUBB1 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5678530 0.70 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 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 (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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 ALDH1A1 1647/4885MAPT 270/4885SMN1; SMN2 2389/4885

“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.