SCHEMBL19150115

SCHEMBL19150115

CCCC(=O)NCCCCCCNC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.77
▸ KDM4E B2RXH2 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ NAAA Q02083 1/20 0.60
▸ PAOX Q6QHF9 3/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FAAH O00519 4/20 0.52
▸ DNM1 Q05193 1/20 0.49
▸ EPHX1 P07099 2/20 0.48

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
SCHEMBL14199967 0.91 CASP2 (0.91) CASP2NAAAMEN1KMT2AFAAH
SCHEMBL27137140 0.90 CASP2 (0.74) CASP2KDM4EMAPK1HIF1ANAAA
SCHEMBL22211311 0.90 CASP2 (0.68) CASP2KDM4EMAPK1HIF1ANAAA
SCHEMBL16072836 0.89 CASP2 (0.59) CASP2KDM4EMAPK1HIF1ANAAA
SCHEMBL7537764 0.89 CASP2 (0.86) CASP2NAAAMEN1KMT2AFAAH
SCHEMBL19960974 0.88 CASP2 (0.71) CASP2KDM4EMAPK1HIF1ANAAA
SCHEMBL19960886 0.88 CASP2 (0.71) CASP2KDM4EMAPK1HIF1ANAAA
SCHEMBL2497062 0.87 CASP2 (1.00) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL9795571 0.87 CASP2 (1.00) CASP2NAAAFAAHDNM1EPHX1
SCHEMBL10149803 0.87 CASP2 (1.00) CASP2NAAAFAAHDNM1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
US-20170202217-A1 ANTIBACTERIAL POLYMER, PRODUCTION METHOD THEREFOR, AND USAGE THEREOF NATIONAL UNIVERSITY CORPORATION YAMAGATA UNIVERSITY (JP) 2017-07-20 — — 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-20170202217-A1 ANTIBACTERIAL POLYMER, PRODUCTION METHOD THEREFOR, AND USAGE THEREOF WASF2, HASPIN, MRPL21 CASP2 1579/4885KDM4E 3467/4885MAPK1 4115/4885

“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.

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