SCHEMBL3971667

SCHEMBL3971667

COC(=O)COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.77
ALDH1A1 P00352 8/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL839776 0.95 PTGS2 (0.83) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL830784 0.90 PTGS2 (0.75) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL9188865 0.85 PTGS2 (0.61) PTGS2ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL9188689 0.83 ALDH1A1 (0.56) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8485548 0.83 PTGS2 (0.65) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL831162 0.82 PTGS2 (0.65) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL11605368 0.81 PTPN7 (0.69) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL8832017 0.81 GAA (0.66) PTGS2ALDH1A1MAPTPOLBKMT2A
SCHEMBL3026910 0.80 PTGS2 (0.62) PTGS2ALDH1A1MAPTKMT2AMEN1
SCHEMBL656776 0.80 PTGS2 (0.66) PTGS2ALDH1A1MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
EP-1667959-A1 BIPHENYLOXY-ACIDS Wyeth (US) 2006-06-14 EP disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US disclosed
WO-2005030702-A1 BIPHENYLOXY-ACIDS WYETH (US) 2005-04-07 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 PTGS2 2391/4885ALDH1A1 388/4885MAPT 4702/4885

“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.