SCHEMBL8662079

SCHEMBL8662079

NCCCCCCNNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 4/20 0.44
ALOX15 P16050 2/20 0.44
THRB P10828 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLG P00747 1/20 0.44
SLC6A2 P23975 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 3/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39

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
SCHEMBL19732818 0.80
SCHEMBL27966662 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL21122034 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL27150348 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL9539874 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL28041964 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL13731861 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL2420545 0.77 EPHX1 (0.52) ALOX15KMT2AMEN1ALDH1A1TSHR
SCHEMBL28167200 0.77 CA12 (0.50) PAOXMAOAMAOBLMNAALOX15
SCHEMBL7004889 0.76 PAOX (0.64) PAOXMAOAMAOBLMNAALOX15

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-0514087-B1 Polyphenylene ether-EPDM compositions GEN ELECTRIC (US) 1998-11-25 EP claimed
US-5258455-A High strength, acyl funcionalized, low and high molecular weight GENERAL ELECTRIC COMPANY (US) 1993-11-02 US claimed
EP-2868676-A1 Functionalised copolymer rubber containing nitrile groups LANXESS Deutschland GmbH (DE) 2015-05-06 EP disclosed
EP-2868677-A1 Copolymer rubber containing nitrile groups LANXESS Deutschland GmbH (DE) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-5258455-A High strength, acyl funcionalized, low and high molecular weight GENERAL ELECTRIC COMPANY (US) 1993-11-02 US disclosed
US-5258455-A High strength, acyl funcionalized, low and high molecular weight GENERAL ELECTRIC COMPANY (US) 1993-11-02 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B PAOX 277/4885MAOA 686/4885MAOB 684/4885

“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.