SCHEMBL6401897

SCHEMBL6401897

CC(=O)Oc1ccc(CO[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.65
PTGS2 P35354 4/20 0.46
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
PTGS1 P23219 2/20 0.45
HPGD P15428 2/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
GGT1 P19440 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.41

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
SCHEMBL6400514 0.89 KDM4E (0.52) CFDPTGS2KDM4EHSD17B10ALDH1A1
Benzene SCHEMBL16599421 0.88 KDM4E (0.51) CFDPTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL5605087 0.83 CFD (0.56) CFDPTGS2KDM4EHSD17B10ALDH1A1
Aspirin SCHEMBL4160561 0.81 PTGS2 (0.53) PTGS2KDM4EHSD17B10ALDH1A1TSHR
Aspirin SCHEMBL4160555 0.81 PTGS2 (0.53) PTGS2KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL16719156 0.79 CFD (1.00) CFDPTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6897255 0.78 CFD (0.79) CFDPTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL6401352 0.78 CFD (0.79) CFDPTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL17986280 0.78 TSHR (0.42) CFDPTGS2KDM4EHSD17B10ALDH1A1
SCHEMBL4959789 0.78 PTGS2 (0.49) CFDPTGS2KDM4EHSD17B10ALDH1A1

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-20050148554-A1 Anti-inflammatory and anti-thrombotic compounds and their compositions ZHANG DON (US) 2005-07-07 US disclosed
WO-2004062598-A2 ANTI-INFLAMMATORY AND ANTI-THROMBOTIC COMPOUNDS AND THEIR COMPOSITIONS BETA PHARMA, INC. (US) 2004-07-29 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-20050148554-A1 Anti-inflammatory and anti-thrombotic compounds and their compositions PTGS1, PTGS2, PTGER1 CFD 117/4885PTGS2 2/4885KDM4E 3180/4885

“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.