SCHEMBL3763710

SCHEMBL3763710

COc1cc(/C=C/C(=O)OC(C)(C)C)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.51
IMPDH1 P20839 2/20 0.51
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 4/20 0.47
FDPS P14324 2/20 0.46
ESR1 P03372 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.45
NFE2L2 Q16236 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX5 P09917 1/20 0.45
NFKB1 P19838 1/20 0.45
HSD11B1 P28845 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
SCHEMBL3456231 1.00 IMPDH2 (0.51) IMPDH2IMPDH1KMT2AEPHX2ALDH1A1
SCHEMBL16832000 0.87 EPHX2 (0.65) IMPDH2IMPDH1KMT2AEPHX2ALDH1A1
SCHEMBL16831999 0.87 EPHX2 (0.65) IMPDH2IMPDH1KMT2AEPHX2ALDH1A1
SCHEMBL3456585 0.84 CSF1R (0.43) IMPDH2IMPDH1KMT2AEPHX2ALDH1A1
SCHEMBL3456583 0.84 CSF1R (0.43) IMPDH2IMPDH1KMT2AEPHX2ALDH1A1
SCHEMBL13326254 0.83 CSF1R (0.43) IMPDH2IMPDH1ESR1APP
SCHEMBL16831503 0.82 KDM4E (0.68) IMPDH2IMPDH1KMT2AALDH1A1KDM4E
SCHEMBL16831501 0.82 KDM4E (0.68) IMPDH2IMPDH1KMT2AALDH1A1KDM4E
SCHEMBL15663069 0.81 EPHX2 (0.74) KMT2AEPHX2ALDH1A1KDM4EHPGD
SCHEMBL15663068 0.81 EPHX2 (0.74) KMT2AEPHX2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 IMPDH2 3141/4885IMPDH1 2469/4885KMT2A 2565/4885

“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.