Sugi Predict

Sugi Predict / Compounds / SCHEMBL767834

SCHEMBL767834

SCHEMBL767834

COc1cc(C(=O)OC2CCC(O)CC2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ CYP2D6 P10635 2/20 0.65
▸ HSD17B2 P37059 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ SLC22A8 Q8TCC7 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SHBG P04278 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ SERPINE1 P05121 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PTPN7 P35236 2/20 0.46
▸ DUSP3 P51452 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL767833 1.00 KMT2A (0.67) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL1355728 0.94 KMT2A (0.73) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL1355607 0.94 KMT2A (0.73) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL1354951 0.94 KMT2A (0.73) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL1356493 0.89 KMT2A (0.74) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL1355624 0.89 KMT2A (0.74) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL1354985 0.89 KMT2A (0.74) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL12137173 0.89 KMT2A (0.70) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL17941252 0.87 KMT2A (0.68) KMT2AMEN1CYP2D6HSD17B2SLC22A6
SCHEMBL8887975 0.87 KMT2A (0.68) KMT2AMEN1CYP2D6HSD17B2SLC22A6

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 20 patents. 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
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-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-19 — — US disclosed
EP-2001974-B1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME DU PONT (US) 2011-03-30 — — EP 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-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-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
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 (5 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 1865/4885CYP2D6 2079/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 KMT2A 3298/4885MEN1 333/4885CYP2D6 2267/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 KMT2A 4073/4885MEN1 845/4885CYP2D6 2141/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 KMT2A 3598/4885MEN1 1865/4885CYP2D6 2079/4885
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME THEM6, NOTUM, WEE1 KMT2A 3862/4885MEN1 2373/4885CYP2D6 881/4885

“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.