SCHEMBL9935809

SCHEMBL9935809

CCCCn1ccnc1CCc1nccn1CCCC

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
TLR8 Q9NR97 2/20 0.55
KCNH2 Q12809 5/20 0.42
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
LMNA P02545 1/20 0.39
ADORA2A P29274 1/20 0.37

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
SCHEMBL1049122 0.94 ALDH1A1 (0.61) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL6115033 0.94 ALDH1A1 (0.61) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL4361611 0.94 ALDH1A1 (0.61) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL2397143 0.92 ALDH1A1 (0.59) ALDH1A1POLBKMT2ATLR8KCNH2
Bromide SCHEMBL4479559 0.92 ALDH1A1 (0.59) ALDH1A1POLBKMT2ATLR8KCNH2
Water SCHEMBL28178859 0.92 ALDH1A1 (0.59) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL4226784 0.91 ALDH1A1 (0.58) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL4230811 0.91 ALDH1A1 (0.58) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL4225938 0.91 ALDH1A1 (0.58) ALDH1A1POLBKMT2ATLR8KCNH2
SCHEMBL16163775 0.91 ALDH1A1 (0.58) ALDH1A1POLBKMT2ATLR8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 ALDH1A1 3717/4885POLB 3633/4885KMT2A 4633/4885

“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.