SCHEMBL2773030

SCHEMBL2773030

CC(C)COC(=O)c1ccc(OCC(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
PELP1 Q8IZL8 1/20 0.55
MYC P01106 2/20 0.50
MAX P61244 2/20 0.50
XDH P47989 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
PDK1 Q15118 1/20 0.48
PRSS1 P07477 1/20 0.47

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
SCHEMBL2810372 0.93 AR (0.49) ARPELP1MYCMAXXDH
SCHEMBL4718892 0.90 AR (0.67) ARPELP1MYCMAXXDH
SCHEMBL17395859 0.86 ALDH1A1 (0.59) ARPELP1MYCMAXXDH
SCHEMBL4717487 0.86 MYC (0.64) MYCMAXXDHPRSS1
SCHEMBL4717489 0.85 PDK1 (0.52) ARPELP1MYCMAXXDH
SCHEMBL28451159 0.84 MYC (0.58) ARPELP1MYCMAXALDH1A1
SCHEMBL3727544 0.83 THRB (0.52) ARPELP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10946588 0.83 MAPT (0.60) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4277079 0.82 HTT (0.54) ARPELP1ALDH1A1
SCHEMBL3981486 0.81 KMT2A (0.45) ARPELP1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
CN-101970420-B Oxadiazole derivatives MERCK SERONO SA 2014-09-24 CN disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 AR 2489/4885PELP1 4613/4885MYC 3932/4885

“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.