SCHEMBL777809

SCHEMBL777809

O=C(O[C@H]1CC[C@H](OC(=O)c2ccc(O)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.58
SCN1A P35498 2/20 0.53
SCN2A Q99250 2/20 0.53
SCN3A Q9NY46 2/20 0.53
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
STS P08842 4/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTPN2 P17706 2/20 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
SCHEMBL30540804 1.00 SERPINE1 (0.58) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL9421310 1.00 SERPINE1 (0.58) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL767676 0.93 SERPINE1 (0.51) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL767675 0.93 SERPINE1 (0.51) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL29283750 0.92 STS (0.59) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL27613024 0.91 SERPINE1 (0.61) SERPINE1SCN1ASCN2ASCN3ASTS
SCHEMBL6298658 0.90 STS (0.60) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL4242989 0.90 STS (0.60) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL6298568 0.90 STS (0.60) SERPINE1SCN1ASCN2ASCN3ACA12
SCHEMBL9895375 0.89 ESR2 (0.50) SERPINE1SCN1ASCN2ASCN3ACA12

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 27 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-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-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
US-20120104316-A1 LIQUID CRYSTAL COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-03 US disclosed
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US 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-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 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
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
US-20100308265-A1 LIQUID CRYSTAL COMPOSITIONS 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
US-20100308268-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-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-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-09 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 SERPINE1 3076/4885SCN1A 4512/4885SCN2A 4471/4885
US-20100308270-A1 LIQUID CRYSTAL COMPOSTIONS TTR, CNOT9, CNOT7 SERPINE1 2724/4885SCN1A 3532/4885SCN2A 4066/4885
US-20120068116-A1 LIQUID CRYSTAL COMPOSITIONS AQP3, AQP1, NCAPD2 SERPINE1 3242/4885SCN1A 3847/4885SCN2A 4015/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 SERPINE1 3076/4885SCN1A 4512/4885SCN2A 4471/4885
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME THEM6, NOTUM, WEE1 SERPINE1 3030/4885SCN1A 4583/4885SCN2A 4746/4885

“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.