SCHEMBL6231226

SCHEMBL6231226

CCOCCOc1nc(-c2ccc(OC)nc2)c(-c2ccc(OC)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
PPARD Q03181 4/20 0.40
RCE1 Q9Y256 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP14 P50281 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE5A O76074 1/20 0.34
PDE6A P16499 1/20 0.34
CYP2A6 P11509 1/20 0.34
LOXL2 Q9Y4K0 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
SCHEMBL6538948 0.90 TAAR1 (0.42) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6232683 0.86 TAAR1 (0.42) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6277656 0.84 PPARD (0.39) TAAR1PPARDRCE1KMT2ASMN1; SMN2
SCHEMBL6540327 0.81 PPARD (0.45) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6209114 0.81 MEN1 (0.42) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6230344 0.80 RCE1 (0.43) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6539652 0.80 PDE10A (0.40) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6539748 0.80 TAAR1 (0.43) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6540517 0.78 RCE1 (0.39) TAAR1PPARDRCE1MEN1KMT2A
SCHEMBL6539471 0.76 ALDH1A1 (0.48) TAAR1PPARDRCE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO 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 1264/4885PPARD 1747/4885RCE1 337/4885

“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.