SCHEMBL6540327

SCHEMBL6540327

COc1ccc(-c2oc(OCC(F)(F)F)nc2-c2ccc(OC)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.45
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
RCE1 Q9Y256 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 1/20 0.38
MMP14 P50281 1/20 0.38
ATM Q13315 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36

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
SCHEMBL6232683 0.85 TAAR1 (0.42) PPARDRCE1MEN1KMT2AKDM4E
SCHEMBL6538948 0.84 TAAR1 (0.42) PPARDRCE1MEN1KMT2AKDM4E
SCHEMBL6209114 0.82 MEN1 (0.42) PPARDRCE1MEN1KMT2AKDM4E
SCHEMBL6230344 0.81 RCE1 (0.43) PPARDRCE1MEN1KMT2AKDM4E
SCHEMBL6539652 0.81 PDE10A (0.40) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6231226 0.81 TAAR1 (0.43) PPARDRCE1MEN1KMT2AKDM4E
SCHEMBL6540517 0.79 RCE1 (0.39) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6539748 0.79 TAAR1 (0.43) PPARDRCE1MEN1KMT2AKDM4E
SCHEMBL6540541 0.76 RCE1 (0.40) PPARDRCE1MEN1KMT2ATAAR1
SCHEMBL6232879 0.76 RCE1 (0.40) 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 1747/4885PTGS1 1/4885PTGS2 2/4885

“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.