SCHEMBL767489

SCHEMBL767489

COc1cc(C(=O)Oc2ccc(O)cc2C)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.58
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
RAB9A P51151 1/20 0.55
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.54
MAOB P27338 1/20 0.53
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45

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
SCHEMBL768627 0.87 DYRK1A (0.45) HSD17B2KMT2AMEN1HTTMAPT
SCHEMBL18121579 0.85 MAPT (0.57) HSD17B2KMT2AMEN1SLC22A6SLC22A8
SCHEMBL9725239 0.85 ESR1 (0.50) KMT2AMAPT
SCHEMBL767829 0.84 KMT2A (0.54) HSD17B2KMT2AMEN1SLC22A6SLC22A8
SCHEMBL14208094 0.84 ALDH1A1 (0.60) HSD17B2KMT2AMEN1SLC22A6SLC22A8
SCHEMBL767990 0.83 CA12 (0.50) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL767689 0.81 KMT2A (0.51) KMT2AMEN1RAB9AMAPT
SCHEMBL2791210 0.81 MAPT (0.82) HSD17B2KMT2AMEN1SLC22A6SLC22A8
SCHEMBL768186 0.81 KMT2A (0.60) HSD17B2KMT2AMEN1SLC22A6SLC22A8
SCHEMBL27620944 0.81 MAPT (0.67) HSD17B2KMT2AMEN1SLC22A6SLC22A8

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-20100308268-A1 LIQUID CRYSTAL COMPOSITIONS 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
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 US disclosed
US-20100308265-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 HSD17B2 2899/4885KMT2A 3598/4885MEN1 1865/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 HSD17B2 1955/4885KMT2A 3298/4885MEN1 333/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 HSD17B2 991/4885KMT2A 4073/4885MEN1 845/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 HSD17B2 2899/4885KMT2A 3598/4885MEN1 1865/4885

“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.