SCHEMBL3976289

SCHEMBL3976289

CNc1ccc(-c2ccc(OCC(=O)OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTGS2 P35354 2/20 0.51
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SYK P43405 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL2116437 0.84 PTGS2 (0.66) POLBMEN1KMT2AL3MBTL1PTGS2
SCHEMBL6163614 0.83 MAPT (0.69) POLBMEN1KMT2AL3MBTL1PTGS2
SCHEMBL3973631 0.81 PTGS2 (0.53) POLBMEN1KMT2AL3MBTL1PTGS2
SCHEMBL4670753 0.81 RXFP1 (0.49) POLBMEN1KMT2AL3MBTL1PTGS2
SCHEMBL9265258 0.80 PTGS2 (0.51) POLBMEN1KMT2AL3MBTL1PTGS2
Hydrochloric Acid SCHEMBL3973727 0.80 PTGS2 (0.51) POLBMEN1KMT2AL3MBTL1PTGS2
SCHEMBL7309018 0.80 GAA (0.62) POLBMAPTTP53GAAALDH1A1
SCHEMBL10119179 0.79 PTGS2 (0.57) POLBMEN1KMT2AL3MBTL1PTGS2
SCHEMBL12891619 0.79 MEN1 (0.49) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL12015657 0.79 ALDH1A1 (0.66) POLBMEN1KMT2AMAPTGAA

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 POLB 2321/4885MEN1 3931/4885KMT2A 894/4885

“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.