SCHEMBL6539370

SCHEMBL6539370

COCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)nc2)o1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.47
RCE1 Q9Y256 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6539994 0.95 PPARD (0.52) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6538975 0.82 PPARD (0.49) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6209281 0.82 PPARD (0.49) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6539085 0.82 PPARD (0.54) PPARDRCE1TAAR1RXRARXRB
SCHEMBL6539084 0.78 PPARD (0.47) PPARDMEN1KMT2AKDM4EALDH1A1
SCHEMBL6539819 0.78 PPARD (0.47) PPARDMEN1KMT2AKDM4EALDH1A1
SCHEMBL6538948 0.76 TAAR1 (0.42) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6538918 0.73 RCE1 (0.44) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6207277 0.73 GSK3B (0.45) RCE1MEN1KMT2ATAAR1KDM4E
SCHEMBL6539471 0.73 ALDH1A1 (0.48) PPARDRCE1MEN1KMT2ATAAR1

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 1747/4885RCE1 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.