SCHEMBL4151709

SCHEMBL4151709

Cc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.67
CYP19A1 P11511 1/20 0.56
SNCA P37840 1/20 0.52
MAPT P10636 2/20 0.51
MAOB P27338 1/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
FBP1 P09467 1/20 0.49
VCP P55072 1/20 0.49
GLO1 Q04760 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2686075 0.84 NFE2L2 (0.65) NFE2L2CYP19A1SNCAMAPTMAOB
SCHEMBL4403012 0.84 NFE2L2 (0.65) NFE2L2CYP19A1SNCAMAPTMAOB
SCHEMBL10496489 0.84 NFE2L2 (0.68) NFE2L2CYP19A1SNCAMAPTMAOB
SCHEMBL13877019 0.84 NFE2L2 (0.68) NFE2L2CYP19A1SNCAMAPTMAOB
SCHEMBL9798094 0.84 NFE2L2 (0.68) NFE2L2CYP19A1SNCAMAPTMAOB
SCHEMBL27675542 0.81 NFE2L2 (0.68) NFE2L2CYP19A1SNCAMAPTALDH1A1
SCHEMBL13622504 0.79 NFE2L2 (0.79) NFE2L2CYP19A1MAPTMAOBALDH1A1
SCHEMBL4143068 0.79 CYP1A2 (0.49) NFE2L2MAOBALDH1A1LMNAMEN1
SCHEMBL1405314 0.78 NFE2L2 (1.00) NFE2L2CYP19A1SNCAMAPTMAOB
SCHEMBL1405312 0.78 NFE2L2 (1.00) NFE2L2CYP19A1SNCAMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 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-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS IL1B, NFKBIA, IL1R1 NFE2L2 311/4885CYP19A1 154/4885SNCA 3997/4885

“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.