SCHEMBL732933

SCHEMBL732933

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

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.55
CYP19A1 P11511 2/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
EIF4A1 P60842 2/20 0.51
S1PR3 Q99500 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.47
PTPN11 Q06124 1/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYC P01106 1/20 0.46

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
SCHEMBL7970263 0.92 S1PR3 (0.61) TP53HTTCYP19A1ALDH1A1MAPT
SCHEMBL28745869 0.91 S1PR3 (0.63) TP53HTTCYP19A1ALDH1A1S1PR3
SCHEMBL13440156 0.89 CYP19A1 (0.55) TP53HTTCYP19A1ALDH1A1MAPT
SCHEMBL18113435 0.88 HTT (0.57) TP53HTTALDH1A1MAPTCTSV
SCHEMBL5133113 0.88 TP53 (0.51) TP53HTTALDH1A1MAPTS1PR3
SCHEMBL5047690 0.87 ALDH1A1 (0.50) TP53HTTALDH1A1MAPTCTSV
SCHEMBL6481916 0.87 CYP19A1 (0.51) TP53HTTCYP19A1ALDH1A1MAPT
SCHEMBL16957105 0.87 CYP19A1 (0.53) TP53HTTCYP19A1ALDH1A1MAPT
SCHEMBL733055 0.86 CYP19A1 (0.53) CYP19A1ALDH1A1MAPTCYSLTR2CYSLTR1
SCHEMBL7562414 0.85 CYP19A1 (0.52) CYP19A1ALDH1A1MAPTCYSLTR2CYSLTR1

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 3 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
EP-0442204-A2 Pyrimidopyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-08-21 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-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 TP53 1378/4885HTT 3509/4885CYP19A1 1023/4885

“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.