SCHEMBL6538764

SCHEMBL6538764

COc1ccc(-c2nc(C3CC3)oc2-c2ccc(OCCN)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
ATR Q13535 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PIK3CA P42336 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
RCE1 Q9Y256 1/20 0.34
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP14 P50281 1/20 0.34
ATM Q13315 1/20 0.34
KIT P10721 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6539329 0.91 PPARD (0.41) PPARDTAAR1PIK3CARCE1MMP14
SCHEMBL6538962 0.88 PPARD (0.39) PPARDMEN1KMT2ATP53POLB
SCHEMBL6539490 0.85 PPARD (0.38) PPARDTAAR1RCE1TP53POLB
SCHEMBL6258240 0.85 PPARD (0.40) PPARDTAAR1PIK3CARCE1
SCHEMBL6539086 0.84 MEN1 (0.45) PPARDGRM5MEN1KMT2APOLB
SCHEMBL6540113 0.84 TP53 (0.39) PPARDTAAR1RCE1MEN1KMT2A
SCHEMBL6538808 0.82 HSD17B1 (0.40) PPARDPIK3CARCE1MEN1KMT2A
SCHEMBL6539113 0.81 RAB9A (0.48) KMT2AATMPOLB
SCHEMBL6539388 0.81 PPARD (0.38) PPARDATRTAAR1PIK3CALOXL2
SCHEMBL6325951 0.81 PPARD (0.38) PPARDATRTAAR1PIK3CALOXL2

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 PPARD 1747/4885ATR 4740/4885TAAR1 1264/4885

“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.