SCHEMBL10073543

SCHEMBL10073543

c1cc(CN2CCCC2)c(CN2CCCC2)c(CN2CCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
POLB P06746 1/20 0.63
CHRNA7 P36544 2/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MPO P05164 2/20 0.47
CYP2A13 Q16696 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11334386 0.86 ALDH1A1 (0.68) KDM4EALDH1A1POLBCHRNA7CYP2A13
SCHEMBL11196594 0.83 ALDH1A1 (0.69) KDM4EALDH1A1POLBCHRNA7HRH3
SCHEMBL11194277 0.81 ALDH1A1 (0.73) KDM4EALDH1A1POLBCHRNA7CYP2D6
SCHEMBL30275949 0.80 KDM4E (0.56) KDM4EALDH1A1POLBCHRNA7CYP2D6
SCHEMBL2107499 0.79 ALDH1A1 (0.96) KDM4EALDH1A1POLBCYP2A13HTT
SCHEMBL7862353 0.79 KDM4E (0.51) KDM4EALDH1A1POLBCYP2D6CYP2C19
SCHEMBL8667459 0.78 ALDH1A1 (0.58) KDM4EALDH1A1POLBCHRNA7HRH3
SCHEMBL29941203 0.78 ALDH1A1 (1.00) KDM4EALDH1A1POLBCYP2D6CYP2C19
SCHEMBL29668760 0.78 ALDH1A1 (0.62) KDM4EALDH1A1POLBCHRNA7CYP2A13
SCHEMBL21783393 0.78 ALDH1A1 (0.62) KDM4EALDH1A1POLBCHRNA7CYP2A13

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
EP-3124490-A1 HIGH STABILITY POLYIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2017-02-01 EP disclosed
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 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-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG KDM4E 4398/4885ALDH1A1 4720/4885POLB 219/4885

“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.