SCHEMBL18289686

SCHEMBL18289686

CCCCCCN(CCCCCC)c1ccc(/C(=C(\c2ccccc2)c2ccc(/C=C/c3cc[n+](CCCS(=O)(=O)O)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
KDM4A O75164 4/20 0.47
KDM2A Q9Y2K7 4/20 0.47
INSR P06213 2/20 0.44
ATG4B Q9Y4P1 1/20 0.40
CHAT P28329 1/20 0.39
CNR2 P34972 1/20 0.37
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
HTT P42858 1/20 0.36
PTGS2 P35354 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
SCHEMBL9016121 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9016124 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6418098 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25174360 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6418092 0.91 CHRM2 (0.57) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18289685 0.89 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14984184 0.88 KDM4A (0.58) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18102248 0.87 CHRM2 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26644133 0.87 CHRM2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
Water SCHEMBL7040802 0.86 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-08 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-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening FOLH1, GGT1, GSTP1 CHRM2 3207/4885CHRM4 2979/4885CHRM5 4099/4885

“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.