SCHEMBL6539748

SCHEMBL6539748

CCC(C)Oc1nc(-c2ccc(OC)nc2)c(-c2ccc(OC)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
RCE1 Q9Y256 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 3/20 0.39
MMP14 P50281 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP2A6 P11509 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 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
SCHEMBL6230344 0.90 RCE1 (0.43) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6538948 0.81 TAAR1 (0.42) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6231226 0.80 TAAR1 (0.43) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6232683 0.80 TAAR1 (0.42) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6540327 0.79 PPARD (0.45) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6209114 0.79 MEN1 (0.42) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6539652 0.78 PDE10A (0.40) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6540517 0.76 RCE1 (0.39) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6539471 0.76 ALDH1A1 (0.48) TAAR1RCE1MEN1KMT2APPARD
SCHEMBL6232879 0.76 RCE1 (0.40) TAAR1RCE1MEN1KMT2APPARD

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 TAAR1 1264/4885RCE1 337/4885MEN1 4420/4885

“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.