SCHEMBL733055

SCHEMBL733055

CCCOc1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 2/20 0.52
RAB9A P51151 3/20 0.48
NPC1 O15118 3/20 0.47
TBXA2R P21731 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44

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
SCHEMBL28060807 0.93 ALDH1A1 (0.51) CYP19A1ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL7970564 0.92 CYP19A1 (0.54) CYP19A1ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL27571908 0.91 CYP19A1 (0.56) CYP19A1ALDH1A1RAB9ALMNACYSLTR2
SCHEMBL9097438 0.89 MEN1 (0.50) ALDH1A1KMT2AMEN1CYP2C19CYP3A4
SCHEMBL730095 0.89 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL26239254 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C19CYP3A4
SCHEMBL5109206 0.86 L3MBTL1 (0.53) ALDH1A1KMT2AMEN1CYP2C19CYP3A4
SCHEMBL732933 0.86 TP53 (0.55) CYP19A1ALDH1A1KMT2ACYP3A4RAB9A
SCHEMBL5209452 0.86 RAB9A (0.51) ALDH1A1KMT2AMEN1CYP2C19CYP3A4
SCHEMBL9234021 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 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-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 CYP19A1 1023/4885ALDH1A1 2287/4885KMT2A 4440/4885

“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.