SCHEMBL4403012

SCHEMBL4403012

COc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.65
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
GRIN2D O15399 1/20 0.57
GRIN2C Q14957 1/20 0.57
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
SNCA P37840 1/20 0.49
TLR9 Q9NR96 1/20 0.49
CYP19A1 P11511 1/20 0.49
MAOB P27338 1/20 0.48

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 1.00 NFE2L2 (0.65) NFE2L2AKR1C3AKR1C2GRIN2DGRIN2C
SCHEMBL4151709 0.84 NFE2L2 (0.67) NFE2L2MAPTALDH1A1LMNAKMT2A
SCHEMBL10496489 0.81 NFE2L2 (0.68) NFE2L2MAPTALDH1A1KMT2AMEN1
SCHEMBL9798094 0.81 NFE2L2 (0.68) NFE2L2MAPTALDH1A1KMT2AMEN1
SCHEMBL13877019 0.81 NFE2L2 (0.68) NFE2L2MAPTALDH1A1KMT2AMEN1
SCHEMBL1405379 0.81 NFE2L2 (0.81) NFE2L2MAPTALDH1A1LMNATRPV1
SCHEMBL1405381 0.81 NFE2L2 (0.81) NFE2L2MAPTALDH1A1LMNATRPV1
SCHEMBL1687392 0.81 RELA (0.59) NFE2L2AKR1C3AKR1C2MAPTLMNA
SCHEMBL1687390 0.81 RELA (0.59) NFE2L2AKR1C3AKR1C2MAPTLMNA
SCHEMBL12760733 0.80 NFE2L2 (1.00) NFE2L2MAPTALDH1A1LMNATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349964-B1 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C A I R BIOSCIENCES GMBH (DE) 2015-09-09 EP disclosed
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
WO-2010040843-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2010-04-15 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-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS IL1B, NFKBIA, IL1R1 NFE2L2 311/4885AKR1C3 128/4885AKR1C2 253/4885

“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.