SCHEMBL6540541

SCHEMBL6540541

COc1ccc(-c2oc(OC3CCCC3)nc2-c2ccc(OC)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP14 P50281 1/20 0.39
ATM Q13315 1/20 0.39
PIK3CA P42336 2/20 0.37
PIK3R1 P27986 1/20 0.37
PPARD Q03181 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MCHR1 Q99705 1/20 0.36
CNR1 P21554 1/20 0.35
PDE4A P27815 2/20 0.34
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
PDE4D Q08499 1/20 0.34
DGAT1 O75907 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL6232506 0.99 MMP14 (0.40) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6232879 0.98 RCE1 (0.40) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6540517 0.85 RCE1 (0.39) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6539652 0.82 PDE10A (0.40) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6230344 0.80 RCE1 (0.43) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6538948 0.78 TAAR1 (0.42) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6232683 0.77 TAAR1 (0.42) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6540327 0.76 PPARD (0.45) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6209114 0.76 MEN1 (0.42) RCE1MEN1KMT2AMMP14ATM
SCHEMBL6231226 0.76 TAAR1 (0.43) RCE1MEN1KMT2AMMP14ATM

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.