SCHEMBL5161545

SCHEMBL5161545

CC(C)(C)OC(=O)Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CYP17A1 P05093 1/20 0.42
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRMT1 Q99873 1/20 0.41
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5161321 0.89 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP17A1NPC1LMNA
SCHEMBL23164348 0.89 ALDH1A1 (0.48) CYP1A2ALDH1A1CYP17A1NPC1LMNA
SCHEMBL395184 0.86 ALDH1A1 (0.50) CYP1A2ALDH1A1CYP17A1NPC1LMNA
SCHEMBL15649506 0.84 ALDH1A1 (0.46) CYP1A2ALDH1A1CYP17A1NPC1LMNA
SCHEMBL3576370 0.81 ALDH1A1 (0.46) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL7447972 0.81 ALDH1A1 (0.53) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL7448057 0.81 ALDH1A1 (0.48) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL1697905 0.81 RAB9A (0.61) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL1181428 0.80 MEN1 (0.58) CYP1A2ALDH1A1NPC1LMNAMAPT
SCHEMBL22897658 0.80 MAPT (0.49) ALDH1A1NPC1LMNAMAPTMAPK1

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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 CYP1A2 660/4885ALDH1A1 12/4885PTGDR2 1580/4885

“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.