SCHEMBL17418972

SCHEMBL17418972

CCCCn1cc[n+](C)c1.COCCOCCOCCOCCC(=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
HSP90AA1 P07900 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
APAF1 O14727 1/20 0.52
NPC1 O15118 1/20 0.52
PLA2G1B P04054 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
FDPS P14324 17/20 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
SCHEMBL17418396 1.00 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17419075 1.00 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418692 0.93 SMN1; SMN2 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418927 0.93 SMN1; SMN2 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418668 0.93 SMN1; SMN2 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418254 0.91 SMN1; SMN2 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418334 0.90 SMN1; SMN2 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418208 0.90 SMN1; SMN2 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418632 0.90 SMN1; SMN2 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17418439 0.88 SMN1; SMN2 (0.40) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method KOEI CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 US disclosed
US-20160009669-A1 ONIUM SALT, LIQUID COMPOSITION CONTAINING SAID ONIUM SALT AND CELLULOSE, AND CELLULOSE RECOVERY METHOD KOEI CHEMICAL COMPANY, LIMITED (JP) 2016-01-14 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 (2 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-20160009669-A1 ONIUM SALT, LIQUID COMPOSITION CONTAINING SAID ONIUM SALT AND CELLULOSE, AND CELLULOSE RECOVERY METHOD CEL, CROCC, ALG1 MEN1 3261/4885HSP90AA1 2545/4885KMT2A 2922/4885
US-10087155-B2 Onium salt, liquid composition containing said onium salt and cellulose, and cellulose recovery method CEL, CROCC, ALG1 MEN1 3261/4885HSP90AA1 2545/4885KMT2A 2922/4885

“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.