SCHEMBL10104446

SCHEMBL10104446

CCCCCCCCCCCCC[n+]1ccc(/C=C/c2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 4/20 0.74
KDM2A Q9Y2K7 4/20 0.74
CHRM2 P08172 3/20 0.72
CHRM1 P11229 3/20 0.72
CHRM4 P08173 2/20 0.72
CHRM5 P08912 2/20 0.72
CHRM3 P20309 2/20 0.72
INSR P06213 3/20 0.60
CHAT P28329 1/20 0.50
HTT P42858 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
APAF1 O14727 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL10103994 1.00 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
SCHEMBL8725292 1.00 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
SCHEMBL8725304 1.00 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
SCHEMBL13924726 1.00 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
SCHEMBL13924760 1.00 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
Iodide SCHEMBL8723083 0.99 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
Iodide SCHEMBL8723080 0.99 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
SCHEMBL8727750 0.97 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
SCHEMBL8727754 0.97 KDM4A (0.74) KDM4AKDM2ACHRM2CHRM1CHRM4
Bromide SCHEMBL10845617 0.96 KDM4A (0.72) KDM4AKDM2ACHRM2CHRM1CHRM4

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-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 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-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG KDM4A 626/4885KDM2A 690/4885CHRM2 4532/4885

“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.