SCHEMBL13662912

SCHEMBL13662912

CCCCN(CCCC)c1ccc(N=Nc2ccc(Cl)cc2O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.48
NR1H3 Q13133 8/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NR1I2 O75469 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP14 P50281 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 3/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL13662904 0.93 NR1H2 (0.48) NR1H2NR1H3POLBALDH1A1KDM4E
SCHEMBL13662909 0.85 MAPT (0.45) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL13662910 0.80 ALDH1A1 (0.44) NR1H2NR1H3POLBALDH1A1KDM4E
SCHEMBL7596475 0.80 ALDH1A1 (0.51) NR1H2NR1H3POLBALDH1A1KDM4E
SCHEMBL13662903 0.79 L3MBTL1 (0.48) ALDH1A1KDM4EGAAL3MBTL1MEN1
SCHEMBL13662919 0.79 VCAM1 (0.46) NR1H2NR1H3POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7593140 0.78 ALDH1A1 (0.50) NR1H2NR1H3POLBALDH1A1KDM4E
SCHEMBL13662922 0.78 MAPT (0.49) POLBALDH1A1KDM4EGAAMEN1
SCHEMBL13662908 0.77 KCNH2 (0.56) POLBALDH1A1L3MBTL1MEN1NPC1
SCHEMBL10486511 0.77 EGFR (0.58) NR1H2NR1H3POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090269543-A1 OPTICAL RECORDING MEDIUM TDK CORPORATION (JP) 2009-10-29 US disclosed
US-20090269543-A1 OPTICAL RECORDING MEDIUM TDK CORPORATION (JP) 2009-10-29 US disclosed
US-20090226658-A1 Optical Recording Medium TDK CORPORATION (JP) 2009-09-10 US disclosed
US-20090226658-A1 Optical Recording Medium TDK CORPORATION (JP) 2009-09-10 US disclosed
US-20090149660-A1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA TDK CORPORATION (JP) 2009-06-11 US disclosed
US-20090149660-A1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA TDK CORPORATION (JP) 2009-06-11 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-20090149660-A1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIA KCNN4, CACNA1E, KCNN2 NR1H2 1666/4885NR1H3 1960/4885POLB 4647/4885

“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.