SCHEMBL687841

SCHEMBL687841

COc1ccc(CCO)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
CYP19A1 P11511 1/20 0.51
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
NFKB1 P19838 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.46

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
Sulfuric Acid SCHEMBL687450 0.92 GAA (0.57) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL358592 0.89 GAA (0.62) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL31090146 0.88 GAA (0.77) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL8868058 0.85 ALDH1A1 (0.67) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL2888639 0.85 GAA (0.71) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL13181092 0.83 GAA (0.69) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL1877259 0.83 KDM4E (0.72) GAACYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL296593 0.82 ATM (0.66) CYP19A1ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL13098004 0.82 ATM (0.66) CYP19A1ALDH1A1CYP3A4CYP1A2KDM4E
SCHEMBL29446268 0.82 ATM (0.66) CYP19A1ALDH1A1CYP3A4CYP1A2KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637122-B1 2-(Amino or substituted Amino)-3-5-6-substituted Phenol compounds, dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2012-02-29 EP claimed
EP-1634572-B1 Hair dyeing compositions comprising 2-Amino-3-5-substituted phenol compounds and use thereof PROCTER & GAMBLE (US) 2010-04-07 EP claimed
US-10004672-B2 Oxidation dye including a combination of cross-linked, aminated siloxane polymers and non-ionic surfactants HENKEL AG & CO. KGAA (DE) 2018-06-26 US disclosed
US-9809668-B2 Polymerizable compound, composition, polymer, optically anisotropic body, liquid crystal display device, and organic EL device DIC CORPORATION (JP) 2017-11-07 US disclosed
US-20170231880-A1 OXIDATION DYE INCLUDING A COMBINATION OF CROSS-LINKED, AMINATED SILOXANE POLYMERS AND NON-IONIC SURFACTANTS HENKEL AG & CO. KGAA (DE) 2017-08-17 US disclosed
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-02-02 US disclosed
US-20170002123-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE DIC CORPORATION (JP) 2017-01-05 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed
US-4854935-A OXIDATION COLOR DYE COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1989-08-08 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-10004672-B2 Oxidation dye including a combination of cross-linked, aminated siloxane polymers and non-ionic surfactants KRT18, PLOD3, SORD GAA 3867/4885CYP19A1 1236/4885ALDH1A1 106/4885
US-20170231880-A1 OXIDATION DYE INCLUDING A COMBINATION OF CROSS-LINKED, AMINATED SILOXANE POLYMERS AND NON-IONIC SURFACTANTS KRT18, PLOD3, SORD GAA 3867/4885CYP19A1 1236/4885ALDH1A1 106/4885
US-20170002123-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC GAA 3310/4885CYP19A1 2599/4885ALDH1A1 3129/4885
US-20170029655-A1 POLYMERIZABLE COMPOUND, COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC EL DEVICE OCIAD1, OCIAD2, ELOC GAA 3310/4885CYP19A1 2599/4885ALDH1A1 3129/4885

“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.