SCHEMBL1245161

SCHEMBL1245161

Cc1cc(O)c(C2CCCCC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.45
BACE1 P56817 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PSMB5 P28074 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 5/20 0.36
CNR2 P34972 5/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NR1I2 O75469 1/20 0.36
KDM4B O94953 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
DOHH Q9BU89 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL1243046 0.98 NUDT1 (0.42) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL68884 0.90 NUDT1 (0.44) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL14283748 0.90 NUDT1 (0.44) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL1186506 0.90 NUDT1 (0.44) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL9785309 0.90 NUDT1 (0.44) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL11324503 0.88 NUDT1 (0.41) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL10385924 0.88 NUDT1 (0.41) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL1243063 0.86 KDM4E (0.41) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL27630258 0.85 NUDT1 (0.41) NUDT1BACE1HSP90AA1PSMB5KDM4E
SCHEMBL18587581 0.85 LMNA (0.42) NUDT1BACE1HSP90AA1PSMB5KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467958-B1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS INVISTA TECH SARL (CH) 2014-01-08 EP disclosed
CN-101616956-B Polymer-(organo)clay complex, composition comprising the complex, sheet-like material comprising the complex or composition, and method for production of polymer-(organo)clay complex ASAHI CHEMICAL CORP (JP) 2012-08-22 CN disclosed
EP-2279993-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols, 3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols INVISTA Technologies S.à.r.l. (CH) 2011-02-02 EP disclosed
CN-101616956-A Polymkeric substance-(organic) clay complex, use the composition of this mixture and use the manufacture method of their flap and polymkeric substance-(organic) clay complex ASAHI CHEMICAL CORP (JP) 2009-12-30 CN disclosed
CN-100334138-C Resin, resin compositions, process for production thereof, and moldings made by using the same TORAY INDUSTRIES (JP) 2007-08-29 CN disclosed
CN-1329358-C Process for the preparation of 3,3 ', 5, 5', 6,6 '-hexaalkyl-2, 2' -biphenols, 3 ', 4, 4', 5,5 '-hexaalkyl-2, 2-biphenols and 3, 3', 4,4 ', 5, 5', 6,6 '-octaalkyl-2, 2' -biphenols PONT CO LTD DU (CH) 2007-08-01 CN disclosed
CN-1982272-A Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols DU PONT (CH) 2007-06-20 CN disclosed
CN-1757130-A Polymer electrolyte material, polymer electrolyte part, film electrode composite element and polymer electrolyte fuel cells TORAY INDUSTRIES (JP) 2006-04-05 CN disclosed
CN-1649940-A Resin, resin compositions, process for production thereof, and moldings made by using the same TORAY INDUSTRIES (JP) 2005-08-03 CN disclosed
CN-1615287-A Process for the preparation of 3,3 ', 5,5 ', 6,6 ' -hexaalkyl-2, 2 ' -biphenols, 3 ', 4,4 ', 5,5 ' -hexaalkyl-2, 2 ' -biphenols and 3,3 ', 4,4 ', 5,5 ', 6,6 ' -octaalkyl-2, 2 ' -biphenols DU PONT (US) 2005-05-11 CN disclosed
EP-1467958-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-10-20 EP disclosed
WO-2003045883-A1 PROCESS FOR PREPARING 3,3',5,5',6,6'-HEXAALKYL-2,2'-BIPHENOLS, 3,3',4,4',5,5'-HEXAALKYL-2,2'-BIPHENOLS AND 3,3',4,4',5,5',6,6'-OCTAALKYL-2,2'-BIPHENOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-06-05 WO disclosed
US-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols SHAPIRO RAFAEL (US) 2003-05-29 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 (1 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-20030100802-A1 Process for preparing 3,3',5,5',6,6'-hexaalkyl-2,2'-biphenols,3,3',4,4',5,5'-hexaalkyl-2,2'-biphenols and 3,3',4,4',5,5',6,6'-octaalkyl-2,2'-biphenols CYP4B1, UGT1A4, CYP4X1 NUDT1 746/4885BACE1 2173/4885HSP90AA1 3321/4885

“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.