SCHEMBL2008196

SCHEMBL2008196

CCOC(=O)COc1ccc(C=O)cc1OCC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.52
FDPS P14324 1/20 0.51
TACR2 P21452 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
IGF1R P08069 1/20 0.47

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
SCHEMBL13858849 0.97 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL3788224 0.93 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL1949645 0.93 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
Protocatechualdehyde SCHEMBL5782828 0.92 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL4281305 0.91 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL16295256 0.90 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2POLBFDPS
SCHEMBL13850149 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL1949360 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2POLBMAPT
SCHEMBL6131789 0.88 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2TACR2MAPT
SCHEMBL14526126 0.88 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2POLBMAPT

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
CN-105503581-B A kind of water-soluble nano graphenic surface activating agent and its synthetic method and application 陕西师范大学 2017-07-11 CN claimed
CN-105503581-A Water-soluble nano graphene surfactant, and synthesis method and application thereof UNIV SHAANXI NORMAL 2016-04-20 CN claimed
CN-105503581-B A kind of water-soluble nano graphenic surface activating agent and its synthetic method and application 陕西师范大学 2017-07-11 CN disclosed
CN-105503581-A Water-soluble nano graphene surfactant, and synthesis method and application thereof UNIV SHAANXI NORMAL 2016-04-20 CN disclosed
CN-105503581-A Water-soluble nano graphene surfactant, and synthesis method and application thereof UNIV SHAANXI NORMAL 2016-04-20 CN disclosed
US-9212196-B2 Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof UNIVERSITE PARIS DESCARTES (FR) 2015-12-15 US disclosed
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVWESITE D"AUVERGNE (FR) 2014-04-17 US disclosed
WO-2012156931-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVERSITE PARIS DESCARTES (FR) 2012-11-22 WO disclosed
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 EP disclosed
US-5674467-A USED IN NMR DIAGNOSIS, RADIODIAGNOSIS OR RADIOTHERAPY INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1997-10-07 US disclosed
EP-0684948-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME. DIAGNOSTIKFORSCHUNG INST (DE) 1995-12-06 EP disclosed
WO-1994019352-A1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-09-01 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 ALDH1A1 2548/4885KDM4E 4730/4885SMN1; SMN2 4690/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885KDM4E 4730/4885SMN1; SMN2 4690/4885
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF HCAR3, HRH3, SSTR3 ALDH1A1 1395/4885KDM4E 3875/4885SMN1; SMN2 2789/4885

“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.