SCHEMBL6539425

SCHEMBL6539425

COc1ccc(-c2nc(C(O)C(C)C)oc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARD Q03181 8/20 0.39
CHEK1 O14757 1/20 0.38
CDK1 P06493 1/20 0.38
PTGS2 P35354 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL6539669 0.89 KDM4E (0.41) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL6538882 0.86 HPGD (0.40) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL6539945 0.86 PTGS2 (0.39) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL6538959 0.86 PPARD (0.40) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL6229912 0.86 PPARD (0.40) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL6539632 0.85 ESR2 (0.45) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL6206651 0.84 NPSR1 (0.47) ALDH1A1MAPTHPGDPPARD
SCHEMBL6229835 0.81 KMT2A (0.39) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL6539414 0.80 PPARD (0.43) KDM4EALDH1A1POLBMAPTCYP2C9
SCHEMBL13352330 0.80 CYP11B1 (0.42) KDM4EALDH1A1POLBMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 KDM4E 1912/4885ALDH1A1 163/4885POLB 2793/4885

“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.