SCHEMBL3971476

SCHEMBL3971476

CCCc1c(C(=O)NCc2ccc(-c3ccc(OCC(=O)O)cc3)cc2)cnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
MAPT P10636 5/20 0.58
HPGD P15428 1/20 0.53
MAPK1 P28482 4/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.49
MAPK14 Q16539 6/20 0.49
MAPK11 Q15759 2/20 0.49
LMNA P02545 2/20 0.48

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
SCHEMBL4670702 0.89 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL5995027 0.88 HPGD (0.57) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL3971826 0.88 ALDH1A1 (0.48) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL3970328 0.87 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL4670233 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL3972889 0.82 HPGD (0.51) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL2858114 0.82 HPGD (0.57) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL3977382 0.82 KDM4E (0.58) ALDH1A1MAPTHPGDPOLBMAPK14
SCHEMBL2857376 0.81 ALDH1A1 (0.67) ALDH1A1MAPTHPGDMAPK1GAA
SCHEMBL4672609 0.81 CCR1 (0.50) ALDH1A1MAPTHPGDMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US claimed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 US claimed
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 ALDH1A1 388/4885MAPT 4702/4885HPGD 2936/4885

“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.