SCHEMBL410169

SCHEMBL410169

CCc1ccccc1-c1ccc(C(=O)OC)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
XDH P47989 2/20 0.56
EGFR P00533 2/20 0.51
LMNA P02545 3/20 0.48
HPGD P15428 3/20 0.48
PDK2 Q15119 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8408486 0.90 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL410064 0.85 PDK2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL15099889 0.83 CA1 (0.77) CA12CA1CA2CA7CA9
SCHEMBL410249 0.83 CREBBP (0.46) LMNAHPGDPDK2KDM4ETP53
SCHEMBL536675 0.82 NOTUM (0.51) EGFRLMNAPDK2KDM4EALDH1A1
SCHEMBL408614 0.81 XDH (0.59) CA12CA1CA2CA7CA9
SCHEMBL3373567 0.80 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL14832783 0.78 EGFR (0.79) CA12CA1CA2CA7CA9
SCHEMBL8230251 0.77 CA1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL2774064 0.77 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB CA12 3170/4885CA1 2370/4885CA2 3032/4885

“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.