SCHEMBL768406

SCHEMBL768406

CCCCCCCCCCOc1cc(C(C)(C)CC(C)(C)C)c(O)c(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
PLA2G2A P14555 2/20 0.46
CNR1 P21554 15/20 0.45
CNR2 P34972 14/20 0.45
LTA4H P09960 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL768405 0.88 CNR1 (0.54) NR5A1CNR1CNR2
SCHEMBL9999756 0.85 CA1 (0.52) NR5A1PLA2G2ACNR1CNR2LTA4H
SCHEMBL6693439 0.85 CA1 (0.52) NR5A1PLA2G2ACNR1CNR2LTA4H
SCHEMBL1086609 0.85 CA1 (0.52) NR5A1PLA2G2ACNR1CNR2LTA4H
SCHEMBL11735475 0.85 ESR1 (0.50) NR5A1PLA2G2ACNR1CNR2
SCHEMBL11738844 0.84 NR5A1 (0.51) NR5A1CNR2LTA4H
SCHEMBL11782751 0.84 NR5A1 (0.51) NR5A1CNR2LTA4H
SCHEMBL11425542 0.79 ESR1 (0.63) CNR1CNR2
SCHEMBL10990333 0.78 CA2 (0.55) NR5A1PLA2G2ACNR1CNR2LTA4H
SCHEMBL8959243 0.78 CA2 (0.59) BLM

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-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-8334393-B2 Chiral compounds and liquid crystal compositions and polymer networks derived therefrom E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-18 US disclosed
EP-2440632-A2 LIQUID CRYSTAL COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2012-04-18 EP 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-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-07 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-7914700-B2 Liquid crystal compositions and polymer networks derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-29 US disclosed
US-7339007-B2 Low sediment process for thermally reacting highly reactive polymers and enophiles INFINEUM INTERNATIONAL LIMITED (GB) 2008-03-04 US disclosed
US-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom GOLDFINGER MARC B 2007-11-22 US disclosed
WO-2007120459-A2 CHIRAL DIOLE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-25 WO 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
US-6933351-B2 Process for forming polyalkenyl acylating agents INFINEUM INTERNATIONAL LIMITED (GB) 2005-08-23 US disclosed
US-20040260032-A1 Low sediment process for thermally reacting highly reactive polymers and enophiles INFINEUM INTERNATIONAL LIMITED (GB) 2004-12-23 US disclosed
US-20040260027-A1 Process for forming polyalkenyl acylating agents INFINEUM INTERNATIONAL LIMITED (GB) 2004-12-23 US disclosed
EP-1489105-A2 Process for thermally reacting highly reactive polymers and enophiles Infineum International Limited (GB) 2004-12-22 EP disclosed
EP-1489107-A2 Process for forming polyalkenylacylating agents, lubricating oil and additive for a lubricating oil Infineum International Limited (GB) 2004-12-22 EP 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-20070267599-A1 Liquid crystal compositions and polymer networks derived therefrom F2, CCNB1, CYP2F1 NR5A1 403/4885PLA2G2A 2817/4885CNR1 94/4885
US-20110163267-A1 CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM CCNB1, F2, CYP4F11 NR5A1 505/4885PLA2G2A 3029/4885CNR1 196/4885
US-20120071618-A1 LIQUID CRYSTAL COMPOSITIONS CNOT9, AQP3, AQP1 NR5A1 2523/4885PLA2G2A 2841/4885CNR1 2878/4885
US-20110114885-A1 LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME THEM6, NOTUM, WEE1 NR5A1 897/4885PLA2G2A 4354/4885CNR1 2538/4885

“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.