SCHEMBL2641339

SCHEMBL2641339

C=CCOC(=O)C(=C)C(COC(=O)C(=C)C)OC(=O)C(=C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9356689 0.90 TSHR (0.48) TSHRTHRBTDP1ALDH1A1
SCHEMBL10645448 0.88 TSHR (0.49) TSHRTHRBTDP1ALDH1A1
SCHEMBL6673691 0.82 TSHR (0.41) TSHR
Acrylonitrile SCHEMBL5486032 0.80 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL6269152 0.80
SCHEMBL1057516 0.80 TSHR (0.50) TSHRTHRBTDP1ALDH1A1
SCHEMBL22017 0.80
SCHEMBL28226548 0.80 TSHR (0.50) TSHRTHRBTDP1ALDH1A1
SCHEMBL8921614 0.80
SCHEMBL4823985 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791732-B2 2011-10-12 JP claimed
EP-1583803-B1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS BASF SE (DE) 2010-07-28 EP claimed
EP-1583803-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS Ciba SC Holding AG (CH) 2005-10-12 EP claimed
US-6867301-B2 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-03-15 US claimed
WO-2004063284-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-29 WO claimed
US-20040138458-A1 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORP. 2004-07-15 US claimed
EP-1583803-B1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS BASF SE (DE) 2010-07-28 EP disclosed
EP-1583803-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS Ciba SC Holding AG (CH) 2005-10-12 EP disclosed
US-6867301-B2 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-03-15 US disclosed
WO-2004063284-A1 OXIDATION PROCESS FOR PREPARING HIGHLY DISPERSIBLE QUINACRIDONE PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-29 WO disclosed
US-20040138458-A1 Oxidation process for highly dispersible quinacridone pigments CIBA SPECIALTY CHEMICALS CORP. 2004-07-15 US disclosed
US-6726758-B2 CARBON BLACK, A MAGENTA PIGMENT, AND A CYAN PIGMENT AS COLORANTS, AND THE PLURALITY OF BLACK INK COMPOSITIONS ARE DIFFERENT FROM EACH OTHER IN CONTENT OF CARBON BLACK, AND THE CONTENT OF THE MAGENTA PIGMENT SEIKO EPSON CORPORATION (JP) 2004-04-27 US disclosed
US-20030056687-A1 Black ink set and recording method using the same SEIKO EPSON CORPORATION 2003-03-27 US disclosed
US-6440203-B2 WATER SOLUBILITY SEIKO EPSON CORPORATION (JP) 2002-08-27 US disclosed
US-20010035110-A1 Ink composition capable of realizing images possessing excellent color development and fixation SEIKO EPSON CORPORATION 2001-11-01 US disclosed
EP-1114851-A1 Ink composition capable of realizing images possessing excellent color development and fixation SEIKO EPSON CORPORATION (JP) 2001-07-11 EP 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 (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-20040138458-A1 Oxidation process for highly dispersible quinacridone pigments NDUFA6, NDUFS6, NDUFA3 TSHR 4164/4885THRB 4858/4885TDP1 1373/4885

“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.