SCHEMBL1245154

SCHEMBL1245154

Cc1cc(C(C)(C)C)c(C)c(O)c1-c1c(C)cc(C(C)(C)C)c(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.48
CYP2C9 P11712 5/20 0.48
CYP1A2 P05177 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.48
CA2 P00918 4/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
CA1 P00915 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALOX15 P16050 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
HIF1A Q16665 6/20 0.40
TP53 P04637 3/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL11504878 0.84 ALDH1A1 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL29897548 0.84 SMN1; SMN2 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27944723 0.84 SMN1; SMN2 (0.50) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2294654 0.82 CYP2C19 (0.48) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL15038850 0.80 SMN1; SMN2 (0.56) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL11341071 0.79 CYP2C19 (0.56) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL1524288 0.77 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL29410024 0.77 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL29410034 0.77 SMN1; SMN2 (0.54) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL16383545 0.76 SMN1; SMN2 (0.58) CYP2C19CYP2C9CYP1A2SMN1; SMN2ALDH1A1

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 7 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
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
EP-1448503-B1 PROCESS FOR PREPARING 3,3',6,6'-TETRAALKYL-2,2'-BIPHENOLS AND 3,3',6,6'-TETRAALKYL-5,5'-DIHALO-2,2'-BIPHENOLS INVISTA TECH SARL (US) 2008-01-30 EP disclosed
US-20040049087-A1 Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols INVISTA NORTH AMERICA S.A.R.L. (F/K/A ARTEVA NORTH AMERICA S.A.R.L.) 2004-03-11 US 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
US-6555718-B1 Oxidatively coupling of phenols in presence of Lewis Acid catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-29 US disclosed
US-6489517-B1 CHLORINATING DIALKYLPHENOL, OXIDATIVELY COUPLING PRODUCT IN POLAR APROTIC SOLVENT TO PRODUCE DICHLOROTETRAALKYLBIPHENOL, DECHLORINATING TO PRODUCE TETRAALKYLBIPHENOL, BROMINATING OR IODINATING IF DESIRED E. I. DU PONT DE NEMOURS AND COMPANY 2002-12-03 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 (2 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 CYP2C19 83/4885CYP2C9 71/4885CYP1A2 44/4885
US-20040049087-A1 Process for preparing 3,3',6,6'-tetraalkyl-2,2'-biphenols and 3,3',6,6'-tetraalkyl-5,5'-dihalo-2,2'-biphenols CYP2B6, CYP26B1, UGT1A6 CYP2C19 80/4885CYP2C9 131/4885CYP1A2 39/4885

“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.