SCHEMBL6540517

SCHEMBL6540517

COc1ccc(-c2oc(OCC3CCCC3)nc2-c2ccc(OC)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE5A O76074 2/20 0.38
MMP14 P50281 1/20 0.38
ATM Q13315 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARD Q03181 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CDK2 P24941 4/20 0.37
CDK1 P06493 3/20 0.37
CCNB2 O95067 2/20 0.37
CCNB1 P14635 2/20 0.37
CCNA2 P20248 2/20 0.37
CCNA1 P78396 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6539652 0.96 PDE10A (0.40) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6540541 0.85 RCE1 (0.40) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6232506 0.84 MMP14 (0.40) RCE1MEN1KMT2APDE5AMMP14
SCHEMBL6232879 0.83 RCE1 (0.40) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6538948 0.81 TAAR1 (0.42) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6232683 0.80 TAAR1 (0.42) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6540327 0.79 PPARD (0.45) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6209114 0.79 MEN1 (0.42) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6230344 0.78 RCE1 (0.43) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6231226 0.78 TAAR1 (0.43) RCE1MEN1KMT2APDE5AMMP14

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 RCE1 337/4885MEN1 4420/4885KMT2A 3081/4885

“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.