SCHEMBL1701630

SCHEMBL1701630

Oc1ccc2c(c1O)CCN2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
NOTUM Q6P988 1/20 0.48
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
PARP1 P09874 1/20 0.39
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL13913975 0.79 NOTUM (0.46) ACHENOTUMDRD2DRD4PARP1
SCHEMBL6688356 0.79 NOTUM (0.46) ACHENOTUMDRD2DRD4PARP1
SCHEMBL7039122 0.79 NOTUM (0.46) ACHENOTUMDRD2DRD4PARP1
SCHEMBL12849442 0.79 NOTUM (0.46) ACHENOTUMDRD2DRD4PARP1
SCHEMBL15962082 0.75 SELL (0.42) ACHENOTUMDRD2DRD4PARP1
SCHEMBL7042089 0.75 DRD2 (0.42) ACHENOTUMDRD2DRD4PARP1
SCHEMBL1702274 0.75 NOTUM (0.42) NOTUMDRD2DRD4
SCHEMBL30537817 0.74 PARP1 (0.56) ACHENOTUMDRD2DRD4PARP1
SCHEMBL93672 0.74 PARP1 (0.56) ACHENOTUMDRD2DRD4PARP1
SCHEMBL9195736 0.74 ACHE (0.66) ACHEPARP1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582351-B1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOLE OR INDOLINE COMPOUND, A METAL SALT, HYDROGEN PEROXIDE AND A BASIFYING AGENT L'ORÉAL (FR) 2017-08-02 EP claimed
EP-2623093-B1 DYE FOR KERATIN FIBERS USING BILIRUBIN OXIDASE AND INDOLE DERIVATIVES AMANO ENZYME INC (JP) 2016-05-25 EP claimed
US-20140359950-A1 DYEING OF KERATIN FIBERS USING INDOLE ANALOGUE AMANO ENZYME INC. (JP) 2014-12-11 US claimed
US-8597373-B2 Hair dyeing process using a composition comprising at least one indole or indoline compound, a metal salt, hydrogen peroxide and a basifying agent L'OREAL (FR) 2013-12-03 US claimed
US-20130174864-A1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOLE OR INDOLINE COMPOUND, A METAL SALT, HYDROGEN PEROXIDE AND A BASIFYING AGENT L'OREAL (FR) 2013-07-11 US claimed
EP-2582351-A1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOLE OR INDOLINE COMPOUND, A METAL SALT, HYDROGEN PEROXIDE AND A BASIFYING AGENT L'Oréal (FR) 2013-04-24 EP claimed
WO-2011157668-A1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOLE OR INDOLINE COMPOUND, A METAL SALT, HYDROGEN PEROXIDE AND A BASIFYING AGENT L'OREAL (FR) 2011-12-22 WO claimed
EP-0645999-B2 METHOD FOR DYEING KERATIN FIBRES WITH INDOLE OR INDOLIN DERIVATIVES, HYDROGEN PEROXIDE AND A PEROXIDASE OREAL (FR) 2006-09-27 EP claimed
EP-0575604-B2 INDOLINE PRODUCTS, METHODS FOR PREPARING SAME, AND USE THEREOF IN COSMETICS OREAL (FR) 2003-03-26 EP claimed
US-5776497-A OXIDATIVE POLYMERIZATION OF INDOLINE FOR COSMETICS L'OREAL (FR) 1998-07-07 US claimed
EP-0645999-B1 METHOD FOR DYEING KERATIN FIBRES WITH INDOLE OR INDOLIN DERIVATIVES, HYDROGEN PEROXIDE AND A PEROXIDASE OREAL (FR) 1996-01-31 EP claimed
EP-0575604-B1 INDOLINE PRODUCTS, METHODS FOR PREPARING SAME, AND USE THEREOF IN COSMETICS OREAL (FR) 1995-12-06 EP claimed
EP-0603322-A1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES. OREAL (FR) 1994-06-29 EP claimed
EP-0575604-A1 INDOLINE PRODUCTS, METHODS FOR PREPARING SAME, AND USE THEREOF IN COSMETICS. OREAL (FR) 1993-12-29 EP claimed
EP-0575605-A1 MINERAL OR ORGANIC PARTICLE BASED PRODUCT COMPRISING AN INDOLINE PRODUCT. OREAL (FR) 1993-12-29 EP claimed
WO-1993013745-A1 MINERAL OR ORGANIC PARTICLE BASED PRODUCT COMPRISING AN INDOLINE PRODUCT L'OREAL (FR) 1993-07-22 WO claimed
WO-1993013744-A1 INDOLINE PRODUCTS, METHODS FOR PREPARING SAME, AND USE THEREOF IN COSMETICS L'OREAL (FR) 1993-07-22 WO claimed
EP-0544874-A1 METHOD FOR PREPARING SUBMICRON PARTICLES IN THE PRESENCE OF LIPID VESICLES, AND CORRESPONDING COMPOSITIONS L'OREAL (FR) 1993-06-09 EP claimed
WO-1993005018-A1 DYEING COMPOSITION BASED ON HYDROXYINDOLINE DERIVATIVES L'OREAL (FR) 1993-03-18 WO claimed
WO-1993000068-A1 METHOD FOR PREPARING SUBMICRON PARTICLES IN THE PRESENCE OF LIPID VESICLES, AND CORRESPONDING COMPOSITIONS L'OREAL (FR) 1993-01-07 WO claimed

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-20130174864-A1 HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOLE OR INDOLINE COMPOUND, A METAL SALT, HYDROGEN PEROXIDE AND A BASIFYING AGENT KRT18, HCN4, IDO1 ACHE 512/4885NOTUM 2216/4885DRD2 969/4885

“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.