SCHEMBL1049476

SCHEMBL1049476

COc1cc(C=O)ccc1N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
ALDH1A3 P47895 6/20 1.00
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.52
TRIM24 O15164 2/20 0.51
TRIM33 Q9UPN9 2/20 0.51
HPGD P15428 1/20 0.51
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FDPS P14324 1/20 0.49
AOX1 Q06278 1/20 0.47
MAOB P27338 1/20 0.46
ALDH3A1 P30838 1/20 0.45

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
SCHEMBL15652613 0.86 ALDH1A1 (0.76) ALDH1A1ALDH1A3MAPTSMN1; SMN2TSHR
SCHEMBL12527303 0.85 ALDH1A1 (0.74) ALDH1A1ALDH1A3MAPTSMN1; SMN2TSHR
SCHEMBL6110135 0.84 ALDH1A1 (0.72) ALDH1A1ALDH1A3MAPTTSHRKDM4E
SCHEMBL28710426 0.81 ALDH1A1 (0.67) ALDH1A1ALDH1A3TSHRFDPS
SCHEMBL30358126 0.80 ALDH1A1 (0.67) ALDH1A1ALDH1A3MAPTSMN1; SMN2TSHR
SCHEMBL18155343 0.80 ALDH1A1 (0.67) ALDH1A1ALDH1A3MAPTSMN1; SMN2TSHR
SCHEMBL31303216 0.80 ALDH1A1 (0.65) ALDH1A1ALDH1A3MAPTKDM4EHPGD
SCHEMBL12543909 0.79 ALDH1A1 (0.64) ALDH1A1ALDH1A3MAPTTSHRKDM4E
SCHEMBL14835776 0.78 ALDH1A1 (0.64) ALDH1A1ALDH1A3MAPTSMN1; SMN2TSHR
SCHEMBL4079761 0.78 ALDH1A1 (1.00) ALDH1A1ALDH1A3MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US claimed
EP-2205681-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'Oreal (FR) 2010-07-14 EP claimed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 WO claimed
US-7214248-B1 Multi-component kit and method for temporarily dyeing and later decolorizing hair WELLA AG (DE) 2007-05-08 US claimed
US-7056348-B2 5-aryl-1,3,3-trimethyl-2-methylene-indoline derivatives and salts thereof, methods for the production and use of said compounds for the temporary coloration of fibers WELLA AG (DE) 2006-06-06 US claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
EP-1227786-B1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AG (DE) 2005-08-24 EP claimed
EP-1194118-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-09-15 EP claimed
US-6485529-B1 Agent and method for coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2002-11-26 US claimed
WO-2002085854-A1 5-ARYL-1.3.3.-TRIMETHYL-2-METHYLENE-INDOLINE DERIVATIVES AND SALTS THEREOF, METHODS FOR THE PRODUCTION AND USE OF SAID COMPOUNDS FOR THE TEMPORARY COLORATION OF FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-10-31 WO claimed
EP-1227786-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE Wella Aktiengesellschaft (DE) 2002-08-07 EP claimed
EP-1194118-A1 AGENT FOR COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP claimed
WO-2001085111-A1 AGENT FOR COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
EP-1143923-A1 AGENT AND METHOD FOR COLOURING FIBRES Wella Aktiengesellschaft (DE) 2001-10-17 EP claimed
WO-2001062219-A1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 WO claimed
WO-2001028507-A1 AGENT AND METHOD FOR COLOURING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-04-26 WO claimed
EP-1054657-A1 AGENT FOR COLORING FIBERS Wella Aktiengesellschaft (DE) 2000-11-29 EP claimed
WO-2000033799-A1 AGENT FOR COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2000-06-15 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST ALDH1A1 743/4885ALDH1A3 407/4885MAPT 1485/4885

“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.