SCHEMBL415666

SCHEMBL415666

[CH2]C(C=O)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EPHX1 P07099 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LPAR1 Q92633 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL10698443 0.98 DNM1 (0.44) DNM1EPHX1ADH1BADH1CADH1A
SCHEMBL1841726 0.98 DNM1 (0.44) DNM1EPHX1ADH1BADH1CADH1A
SCHEMBL27863183 0.98 DNM1 (0.44) DNM1EPHX1ADH1BADH1CADH1A
SCHEMBL9047606 0.93
SCHEMBL9046121 0.84
SCHEMBL28057878 0.77 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2EPHX1
SCHEMBL8129244 0.77 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2EPHX1
SCHEMBL9078137 0.76 DNM1 (0.47) DNM1EPHX1ADH1BADH1CADH1A
SCHEMBL8123831 0.76 DNM1 (0.47) DNM1EPHX1ADH1BADH1CADH1A
SCHEMBL9323325 0.76 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2EPHX1

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-9708292-B2 Cyanopyrimidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-18 US disclosed
US-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-26 US disclosed
EP-2393552-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2011-12-14 EP disclosed
WO-2010090299-A1 A NOVEL CYANOPYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-12 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-20120022077-A1 NOVEL CYANOPYRIMIDINE DERIVATIVE ADORA2A, ADORA1, ADORA3 DNM1 3960/4885ALDH1A1 1232/4885CNR1 12/4885

“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.