SCHEMBL768186

SCHEMBL768186

COc1cc(C(=O)Oc2ccc(O)cc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 4/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
RAB9A P51151 1/20 0.60
HSD17B2 P37059 1/20 0.59
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
BLM P54132 1/20 0.50
MAPT P10636 1/20 0.50
CAPN1 P07384 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL7763155 0.98 KMT2A (0.58) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL18121564 0.92 KMT2A (0.62) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL2790416 0.89 KMT2A (0.67) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL6561168 0.89 HTT (0.71) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL14996370 0.89 HSD17B2 (0.61) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL11583873 0.88 HTT (0.63) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL15277839 0.85 HSD17B2 (0.47) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL768259 0.85 HSD17B2 (0.60) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL8756081 0.85 KMT2A (0.61) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL18121567 0.85 KMT2A (0.60) KMT2AMEN1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404794-B2 Liquid crystal compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-03-26 US disclosed
US-8344175-B2 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-01 US disclosed
US-20120104316-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
EP-2440631-A1 LIQUID CRYSTAL COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2012-04-18 EP disclosed
EP-2440632-A2 LIQUID CRYSTAL COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2012-04-18 EP disclosed
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-8067068-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-29 US disclosed
US-8044228-B2 Liquid crystal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-25 US disclosed
US-8034255-B2 Liquid crystal compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-11 US disclosed
US-7879256-B2 bis(meth)acrylates with esters linking mesogen to a flexible spacer and polymerizable (meth)acrylates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-01 US disclosed
WO-2010144393-A2 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-16 WO disclosed
WO-2010144411-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-16 WO disclosed
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308268-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308269-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
EP-2001974-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-17 EP disclosed
WO-2007120458-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-25 WO disclosed
US-20070228326-A1 Liquid crystal compositions, polymer networks derived therefrom and process for making the same E. I. DU PONT DE NEMOURS AND COMPANY 2007-10-04 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-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MEN1 1865/4885SLC22A6 498/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 KMT2A 3298/4885MEN1 333/4885SLC22A6 1766/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 KMT2A 4073/4885MEN1 845/4885SLC22A6 457/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MEN1 1865/4885SLC22A6 498/4885

“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.