SCHEMBL4401512

SCHEMBL4401512

CCCC[N]N1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
ALOX5 P09917 2/20 0.37
PIK3CD O00329 1/20 0.35
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL4394124 0.89 BRD4 (0.40) BRD4BRD2ALOX5PIK3CDLMNA
SCHEMBL4393265 0.80
Methylpyrrolidone SCHEMBL9806724 0.68 BRD4 (0.74) BRD4BRD2ALOX5PIK3CDLMNA
Methylpyrrolidone SCHEMBL28239935 0.68 BRD4 (0.74) BRD4BRD2ALOX5PIK3CDLMNA
SCHEMBL15733100 0.68 BRD4 (0.46) BRD4BRD2PIK3CDLMNACA12
SCHEMBL10513 0.67 PIK3CD (0.52) BRD4BRD2PIK3CDALDH1A1HSD17B10
Heptane SCHEMBL28942205 0.67 BRD4 (0.71) BRD4BRD2ALOX5PIK3CDLMNA
SCHEMBL103451 0.66
SCHEMBL19918839 0.66 BRD4 (0.36) BRD4BRD2ALOX5PIK3CDLMNA
SCHEMBL161958 0.65 ALOX5 (0.50) BRD4BRD2ALOX5PIK3CDFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 BRD4 1329/4885BRD2 1835/4885ALOX5 866/4885

“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.