SCHEMBL531182

SCHEMBL531182

CCCCn1cc(CCN)[n+](C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HTR2A P28223 1/20 0.33
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 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
SCHEMBL17706421 0.88 NPC1 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
Hydrochloric Acid SCHEMBL30980128 0.86 NPC1 (0.39) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL17706424 0.82 NPC1 (0.41) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL17706460 0.81 NPC1 (0.49) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL17706459 0.76 NPC1 (0.50) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL17731686 0.75 TSHR (0.33) MEN1APAF1NPC1PLA2G1BHSP90AA1
Bromide SCHEMBL19548313 0.74 KMT2A (0.34) MEN1APAF1NPC1PLA2G1BHSP90AA1
Iodide SCHEMBL19548362 0.74 CA12 (0.33) MEN1APAF1NPC1PLA2G1BHSP90AA1
Bromide SCHEMBL17907275 0.73 MEN1 (0.38) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL372452 0.73 NPC1 (0.42) MEN1APAF1NPC1PLA2G1BHSP90AA1

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
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 MEN1 2392/4885APAF1 4704/4885NPC1 2661/4885

“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.