SCHEMBL718119

SCHEMBL718119

O=c1cc(-c2cccc(O)c2O)oc2ccc(O)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.74
CYP3A4 P08684 7/20 0.74
MAPT P10636 6/20 0.74
TP53 P04637 5/20 0.74
CYP2C19 P33261 5/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
ALOX15 P16050 4/20 0.74
KDM4E B2RXH2 4/20 0.74
CYP2C9 P11712 4/20 0.74
CYP2D6 P10635 2/20 0.74
RECQL P46063 2/20 0.74
HSD17B10 Q99714 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
ALOX12 P18054 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 3/20 0.63
GLA P06280 1/20 0.63
TSHR P16473 2/20 0.62
NPC1 O15118 2/20 0.61

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
SCHEMBL1058712 0.88 HPGD (0.78) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL30143812 0.88 HPGD (0.78) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL6241468 0.85 MEN1 (0.74) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL722615 0.85 HPGD (1.00) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL7583434 0.80 HPGD (0.70) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL505415 0.78 DHFR (0.68) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL27806529 0.78 HPGD (0.67) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL4277649 0.78 MAPT (1.00) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL12378837 0.78 PTPRS (0.78) HPGDCYP3A4MAPTTP53CYP2C19
SCHEMBL9148162 0.77 MEN1 (0.79) HPGDCYP3A4MAPTTP53CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION NEURALTUS PHARMACEUTICALS, INC. 2015-02-12 US claimed
US-8669048-B2 Pluripotent cell lines and methods of use thereof PARKINSON'S INSTITUTE (US) 2014-03-11 US claimed
US-20120052053-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED ALPHA-SYNUCLEIN FUNCTION THE PARKINSON'S INSTITUTE 2012-03-01 US claimed
EP-2361089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED -SYNUCLEIN FUNCTION Parkinson's Institute (US) 2011-08-31 EP claimed
US-20100167286-A1 Pluripotent cell lines and methods of use thereof PARKINSON'S INSTITUTE (US) 2010-07-01 US claimed
WO-2010056413-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED α-SYNUCLEIN FUNCTION PARKINSON'S INSTITUTE (US) 2010-05-20 WO claimed
WO-2010008486-A2 PLURIPOTENT CELL LINES AND METHODS OF USE THEREOF PARKINSONS INSTITUTE (US) 2010-01-21 WO claimed
US-10233422-B2 Pluripotent cell lines and methods of use thereof PARKINSON'S INSTITUTE (US) 2019-03-19 US disclosed
US-20170114324-A1 PLURIPOTENT CELL LINES AND METHODS OF USE THEREOF TYLER MEDICAL RESEARCH, LLC 2017-04-27 US disclosed
US-9464273-B2 Pluripotent cell lines and methods of use thereof PARKINSON'S INSTITUTE (US) 2016-10-11 US disclosed
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION NEURALTUS PHARMACEUTICALS, INC. 2015-02-12 US disclosed
US-20140356455-A1 PLURIPOTENT CELL LINES AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-12-04 US disclosed
US-8669048-B2 Pluripotent cell lines and methods of use thereof PARKINSON'S INSTITUTE (US) 2014-03-11 US disclosed
US-20100167286-A1 Pluripotent cell lines and methods of use thereof PARKINSON'S INSTITUTE (US) 2010-07-01 US disclosed
WO-2010056413-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED α-SYNUCLEIN FUNCTION PARKINSON'S INSTITUTE (US) 2010-05-20 WO disclosed
WO-2010008486-A2 PLURIPOTENT CELL LINES AND METHODS OF USE THEREOF PARKINSONS INSTITUTE (US) 2010-01-21 WO disclosed
WO-2009003147-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PARKINSON'S INSTITUTE (US) 2008-12-31 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007083904-A1 C-KIT ACTIVATION INHIBITOR, SKIN WHITENING COMPOUND AND COMPOSITION FOR SKIN WHITENING CONTAINING THE SAME LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2007-07-26 WO disclosed
WO-2007083904-A1 C-KIT ACTIVATION INHIBITOR, SKIN WHITENING COMPOUND AND COMPOSITION FOR SKIN WHITENING CONTAINING THE SAME LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2007-07-26 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 HPGD 1949/4885CYP3A4 17/4885MAPT 4566/4885
US-20120052053-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED ALPHA-SYNUCLEIN FUNCTION SNCA, PARK7, NLN HPGD 2116/4885CYP3A4 4355/4885MAPT 55/4885
US-20150044193-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALTERED a-SYNUCLEIN FUNCTION SNCA, PARK7, NLN HPGD 2906/4885CYP3A4 4539/4885MAPT 69/4885

“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.