SCHEMBL3115134

SCHEMBL3115134

COc1c(C)cc(NCCO)cc1NCCO.Cc1c(NCCO)cccc1NCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
BRD4 O60885 2/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 2/20 0.36
BMPR1B O00238 1/20 0.36
STK16 O75716 1/20 0.36
ABL1 P00519 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
DMPK Q09013 1/20 0.36
MAP2K5 Q13163 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
JAK1 P23458 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
SCHEMBL108260 0.90 ALDH1A1 (0.42) KDM4EBRD4GLAALDH1A1CTSL
SCHEMBL4637282 0.81 ALDH1A1 (0.51) KDM4EBRD4ALDH1A1CTSLCTSS
SCHEMBL11707894 0.79 KDM4E (0.49) KDM4EBRD4GLAALDH1A1KMT2A
SCHEMBL15058572 0.78 ALDH1A1 (0.38) KDM4EBRD4GLAALDH1A1CTSL
SCHEMBL34077 0.77 KDM4E (0.50) KDM4EBRD4GLAALDH1A1KMT2A
SCHEMBL5550162 0.77 ALDH1A1 (0.36) KDM4EBRD4GLAALDH1A1CTSL
SCHEMBL5692217 0.76 KDM4E (0.54) KDM4EBRD4GLAALDH1A1KMT2A
SCHEMBL6258436 0.75 ALDH1A1 (0.38) KDM4EBRD4GLAALDH1A1KMT2A
SCHEMBL109784 0.74 ALDH1A1 (0.47) KDM4EBRD4GLAALDH1A1KMT2A
SCHEMBL5176527 0.74 KDM4E (0.41) KDM4EBRD4GLAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9445977-B2 Multi-tonal one step dyeing HENKEL AG & CO. KGAA (DE) 2016-09-20 US disclosed
US-9402795-B2 Multi-tonal one-step dyes HENKEL AG & CO. KGAA (DE) 2016-08-02 US disclosed
US-20160158582-A1 PRODUCTS IN DISPENSER FOR OXIDATIVE CHANGE TO COLOUR OF KERATINOUS FIBRES HENKEL AG & CO. KGAA (DE) 2016-06-09 US disclosed
US-20150366772-A1 MULTI-TONAL ONE-STEP DYES HENKEL AG & CO. KGAA (DE) 2015-12-24 US disclosed
US-20150366773-A1 MULTI-TONAL ONE STEP DYEING HENKEL AG & CO. KGAA (DE) 2015-12-24 US disclosed
US-7678156-B2 Compositions for treating keratinic fibers, methods of treating such fibers therewith and compounds contained therein HENKEL AG & CO. KGAA (DE) 2010-03-16 US disclosed
US-20070287686-A1 Substance for Dyeing Keratinic Fibers HENKEL KGAA (DE) 2007-12-13 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-20070287686-A1 Substance for Dyeing Keratinic Fibers KRT18, SCNN1B, COL1A1 KDM4E 615/4885BRD4 308/4885GLA 847/4885
US-20160158582-A1 PRODUCTS IN DISPENSER FOR OXIDATIVE CHANGE TO COLOUR OF KERATINOUS FIBRES KRT18, MARK4, NOX4 KDM4E 944/4885BRD4 2005/4885GLA 922/4885

“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.