SCHEMBL3973631

SCHEMBL3973631

COC(=O)COc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
MAPT P10636 4/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
SYK P43405 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.45
CASP3 P42574 1/20 0.45

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
Hydrochloric Acid SCHEMBL3973727 0.98 PTGS2 (0.51) PTGS2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL223169 0.95 PTGS2 (0.57) PTGS2MAPTALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7327250 0.93 PTGS2 (0.55) PTGS2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL829458 0.88 PTGS2 (0.51) PTGS2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL2116437 0.85 PTGS2 (0.66) PTGS2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL3968332 0.85 KMT2A (0.50) MAPTALDH1A1CYP2C9CYP2C19MAPK1
SCHEMBL6163614 0.84 MAPT (0.69) PTGS2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3976286 0.83 PTGS2 (0.50) PTGS2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL13063409 0.82 PTGS2 (0.46) PTGS2MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL3976289 0.81 POLB (0.52) PTGS2MAPTALDH1A1CYP2C9CYP2C19

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 2391/4885MAPT 4702/4885ALDH1A1 388/4885

“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.