SCHEMBL17682125

SCHEMBL17682125

CCCCOC1CC(C#N)(C(=O)OCC)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.32
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PPP5C P53041 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14670927 0.86 EPHX2 (0.37) EPHX2ALDH1A1DPP4SMN1; SMN2
SCHEMBL31619635 0.81 MAPK1 (0.32) ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL7700042 0.80 EPHX2 (0.39) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL15259142 0.79 EPHX2 (0.39) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL15318695 0.79 EPHX2 (0.39) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL9914600 0.78 EPHX2 (0.38) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL10039979 0.78 EPHX2 (0.38) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL13525934 0.78 EPHX2 (0.38) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL19363858 0.77 EPHX2 (0.37) EPHX2ALDH1A1ATMTSHRTDP1
SCHEMBL15928428 0.77 EPHX2 (0.37) EPHX2ALDH1A1ATMTSHRTDP1

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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A EPHX2 341/4885ALDH1A1 265/4885DPP4 672/4885

“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.