SCHEMBL3110299

SCHEMBL3110299

Cc1cc(C)[n+](C)c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.49
NOTUM Q6P988 1/20 0.49
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.44
TSHR P16473 3/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
TYMS P04818 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
C5AR1 P21730 1/20 0.42
S1PR2 O95136 1/20 0.42
RGS4 P49798 1/20 0.42
RGS8 P57771 1/20 0.42
MIF P14174 2/20 0.41
CD74 P04233 1/20 0.41

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
SCHEMBL7835720 0.71 KMT2A (0.69) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL14038766 0.71 KMT2A (0.56) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL23660840 0.70 KMT2A (0.51) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL1426816 0.70 KMT2A (0.46) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL4480638 0.70 HPGD (0.66) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL31560452 0.69 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL3118165 0.69 MAPT (0.50) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4392970 0.69 LMNA (0.60) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL13440548 0.69 HPGD (0.56) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
Bromide SCHEMBL1457139 0.69 KMT2A (0.45) ALDH1A1LMNASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1789014-B1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KGAA (DE) 2008-02-27 EP claimed
US-20070287686-A1 Substance for Dyeing Keratinic Fibers HENKEL KGAA (DE) 2007-12-13 US claimed
EP-1789014-A1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
WO-2006029687-A1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO claimed
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-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
EP-1789014-B1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KGAA (DE) 2008-02-27 EP disclosed
EP-1789014-B1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KGAA (DE) 2008-02-27 EP disclosed
US-20070287686-A1 Substance for Dyeing Keratinic Fibers HENKEL KGAA (DE) 2007-12-13 US disclosed
US-20070287686-A1 Substance for Dyeing Keratinic Fibers HENKEL KGAA (DE) 2007-12-13 US disclosed
EP-1789014-A1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP disclosed
WO-2006029687-A1 SUBSTANCE FOR DYEING KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO 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-20070287686-A1 Substance for Dyeing Keratinic Fibers KRT18, SCNN1B, COL1A1 ALDH1A1 210/4885LMNA 374/4885SMN1; SMN2 3528/4885

“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.