SCHEMBL1049237

SCHEMBL1049237

COc1cc(C=O)ccc1N(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.65
ALDH1A1 P00352 7/20 0.63
TSHR P16473 1/20 0.63
TRIM24 O15164 1/20 0.58
HPGD P15428 1/20 0.58
ALDH5A1 P51649 1/20 0.58
ABAT P80404 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
FDPS P14324 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
AOX1 Q06278 1/20 0.53
TTR P02766 1/20 0.50
ALDH1A3 P47895 1/20 0.49
NQO2 P16083 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL31299758 1.00 APP (0.65) APPALDH1A1TSHRTRIM24HPGD
SCHEMBL3205979 0.85 APP (0.65) APPALDH1A1TSHRTRIM24HPGD
SCHEMBL5758511 0.82 ALDH1A1 (0.46) APPALDH1A1TSHRTRIM24HPGD
SCHEMBL13252530 0.82 FDPS (0.47) APPALDH1A1TSHRTRIM24HPGD
SCHEMBL4808158 0.81 ALDH1A3 (0.61) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL15651545 0.79 FDPS (0.53) APPALDH1A1TSHRTRIM24HPGD
SCHEMBL8557442 0.78 APP (0.56) APPALDH1A1TSHRTRIM24HPGD
3,4-Dimethoxybenzaldehyde SCHEMBL25202 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTRIM24HPGDALDH5A1
3,4-Dimethoxybenzaldehyde SCHEMBL1330962 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTRIM24HPGDALDH5A1
3,4-Dimethoxybenzaldehyde SCHEMBL5308959 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTRIM24HPGDALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103251513-A Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition OREAL 2013-08-21 CN claimed
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
CN-101802107-A Dye composition comprising at least one colourless disulfide/thiol precursor and dyeing process using said composition OREAL 2010-08-11 CN 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-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US claimed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
CN-103251513-A Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition OREAL 2013-08-21 CN disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
CN-102498095-A Indoline derivatives TOKYO INST TECH 2012-06-13 CN disclosed
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP disclosed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 US disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN disclosed
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 disclosed
WO-2008030072-A1 COMPOUND FOR INHIBITING THE FORMATION OF BETA-AMYLOID FIBRIL, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-03-13 WO disclosed
WO-2008030072-A1 COMPOUND FOR INHIBITING THE FORMATION OF BETA-AMYLOID FIBRIL, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-03-13 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 (3 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 APP 1179/4885ALDH1A1 743/4885TSHR 3345/4885
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 APP 2/4885ALDH1A1 253/4885TSHR 4666/4885
US-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT APP 862/4885ALDH1A1 392/4885TSHR 1031/4885

“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.