SCHEMBL4601919

SCHEMBL4601919

C=C1N(C)c2cccc(C)c2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 2/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NSD2 O96028 2/20 0.33
APP P05067 1/20 0.33
HPGD P15428 1/20 0.33
SNCA P37840 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
MPI P34949 1/20 0.33
NOTUM Q6P988 1/20 0.31

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
SCHEMBL9330615 0.79 MPI (0.41) GAALMNAKDM4EMAPTTDP1
SCHEMBL6859897 0.79 MPI (0.32) TDP1MPI
SCHEMBL31365251 0.78 ALDH1A1 (0.35) GAALMNAKDM4EMAPTTDP1
SCHEMBL28050747 0.77 OPRM1 (0.44) LMNAKDM4EMAPTHTTRECQL
SCHEMBL15948303 0.75 KDM4E (0.37) GAALMNAKDM4EMAPTHTT
SCHEMBL14428064 0.75 MPI (0.30) GAAKDM4EMAPTTDP1ALDH1A1
SCHEMBL11444474 0.75 NR1H2 (0.36) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL8397425 0.72 HTT (0.51) GAALMNAKDM4EMAPTTDP1
SCHEMBL918366 0.72 HTT (0.51) GAALMNAKDM4EMAPTTDP1
SCHEMBL9736061 0.72 CXCR2 (0.37) LMNAMAPTTDP1HTTTHRB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP claimed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP claimed
EP-1227786-B1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AG (DE) 2005-08-24 EP claimed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US claimed
EP-1194118-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-09-15 EP claimed
US-6740128-B2 BLEND CONTAINING ENAMINE AND ALKALINE MIXTURE OF ALDEHYDE AND PRIMARY AMINE WELLA AKTIENGESELLSCHAFT (DE) 2004-05-25 US claimed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 US claimed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US claimed
US-20030101520-A1 Agent for coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-05 US claimed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 US claimed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US claimed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 US claimed
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP disclosed
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP disclosed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP disclosed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US disclosed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 US disclosed
US-5130442-A Compounds for forming color in recording material based on acid developers BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0431425-A2 Chromogen enamine compounds, their preparation and use as colour formers BAYER AG (DE) 1991-06-12 EP 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 (4 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-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative IDO1, IDO2, KIT GAA 2417/4885LMNA 429/4885KDM4E 1007/4885
US-20030101520-A1 Agent for coloring fibers COL1A1, ENO1, H1-5 GAA 2782/4885LMNA 552/4885KDM4E 3127/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 GAA 914/4885LMNA 344/4885KDM4E 4246/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 GAA 1311/4885LMNA 671/4885KDM4E 600/4885

“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.