SCHEMBL4965041

SCHEMBL4965041

CC(=O)Oc1cc(CO)ccc1C(=O)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 4/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPT P10636 5/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
CFD P00746 1/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL4959756 0.88 F2 (0.56) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL12536688 0.83 KMT2A (0.57) PTGS2CYP4F2CYP4A11KDM4ELMNA
SCHEMBL4134586 0.83 PTGS2 (0.80) PTGS2CYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL12536689 0.83 KMT2A (0.50) PTGS2HSD17B10LMNACYP1A2CYP2C9
SCHEMBL7994370 0.82 CYP4F2 (0.60) PTGS2CYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL16610057 0.82 PTGS2 (0.55) PTGS2CYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL2547980 0.82 PTGS2 (0.62) PTGS2CYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL4959789 0.81 PTGS2 (0.49) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL12536685 0.80 KMT2A (0.50) PTGS2LMNAMAPTALDH1A1KMT2A
SCHEMBL28755066 0.80 KMT2A (0.56) PTGS2KDM4EHSD17B10LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP disclosed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 WO disclosed
CN-1106790-A Acetylsalicylate deriv. PHARMACEUTICAL COLLEGE HUAXI M (CN) 1995-08-16 CN 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-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 PTGS2 64/4885CYP4F2 321/4885CYP4A11 107/4885

“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.