SCHEMBL4601894

SCHEMBL4601894

C=C1N(C)c2c(ccc(C)c2C)C1(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4603103 0.78 MEN1 (0.37) MPITDP1KDM4EALDH1A1
SCHEMBL4602669 0.70 MPI (0.38) MPITDP1KDM4E
SCHEMBL9750058 0.70
SCHEMBL6859897 0.70 MPI (0.32) MPITDP1
SCHEMBL6860311 0.70 MAPT (0.39) TDP1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL9750447 0.69 PGR (0.33) MPITDP1ALDH1A1
SCHEMBL4602685 0.68 TDP1 (0.45) MPITDP1KDM4EALDH1A1CYP1A2
SCHEMBL9750187 0.67 PDK2 (0.42) MPITDP1KDM4EALDH1A1
SCHEMBL9750050 0.67
SCHEMBL9840984 0.66 MPI (0.31) MPITDP1

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 28 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
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 WO disclosed
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-20030101520-A1 Agent for coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-05 US disclosed
US-20030079301-A1 Agent for dyeing fibers comprising an indoline/indolium derivative WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-05-01 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

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 MPI 1286/4885TDP1 668/4885KDM4E 1007/4885
US-20030101520-A1 Agent for coloring fibers COL1A1, ENO1, H1-5 MPI 3838/4885TDP1 1413/4885KDM4E 3127/4885
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 MPI 2220/4885TDP1 1125/4885KDM4E 4246/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 MPI 1902/4885TDP1 1852/4885KDM4E 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.