SCHEMBL13890859

SCHEMBL13890859

COC(=O)c1ccccc1/C=C\c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.58
NFE2L2 Q16236 3/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSP90AA1 P07900 1/20 0.54
CCR6 P51684 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
CYP19A1 P11511 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOB P27338 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49

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
SCHEMBL7649969 0.84 SNCA (0.60) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL7649962 0.84 SNCA (0.60) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL10496489 0.84 NFE2L2 (0.68) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL9798094 0.84 NFE2L2 (0.68) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL13877019 0.84 NFE2L2 (0.68) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL27544618 0.83 NFE2L2 (0.61) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL3559204 0.81 NFE2L2 (0.67) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL3559206 0.81 NFE2L2 (0.67) SNCANFE2L2MEN1KMT2AMAPT
SCHEMBL6784387 0.80 KMT2A (0.76) MEN1KMT2AMAPTRAB9ACYP1A2
SCHEMBL6784388 0.80 KMT2A (0.76) MEN1KMT2AMAPTRAB9ACYP1A2

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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds BDKRB1, IL1R1, IL1A SNCA 3548/4885NFE2L2 526/4885MEN1 2634/4885

“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.