SCHEMBL18115162

SCHEMBL18115162

O=C(O)CCNC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
PLA2G2A P14555 1/20 0.41
ECE1 P42892 1/20 0.40
EPHX2 P34913 3/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PRMT1 Q99873 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36

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
SCHEMBL13396698 0.94 ECE1 (0.42) FAAHCNR1CNR2PLA2G2AECE1
SCHEMBL18753010 0.90 PTPN1 (0.41) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL18753016 0.88 PTPN1 (0.39) FAAHCNR1CNR2PLA2G2AEPHX2
SCHEMBL20113878 0.83 FAAH (0.51) FAAHCNR1CNR2EPHX2TSHR
SCHEMBL14894607 0.83 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL2011728 0.83 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL2011072 0.83 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL2010277 0.83 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL2011462 0.83 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL398562 0.83 ALDH1A1 (0.52) TSHRALDH1A1

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-3348548-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-07-18 EP claimed
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
EP-3348548-A1 NITRIC OXIDE-RELEASING PRODRUG MOLECULE Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-07-18 EP disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 US disclosed
WO-2016155906-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2016-10-06 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 (2 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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR FAAH 650/4885CNR1 766/4885CNR2 590/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR FAAH 650/4885CNR1 766/4885CNR2 590/4885

“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.