SCHEMBL1243033

SCHEMBL1243033

Cc1ccc(C(C)C)c(O)c1-c1c(C)ccc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.52
GABRB1 P18505 4/20 0.52
GABRB2 P47870 4/20 0.52
LMNA P02545 3/20 0.52
SLC6A2 P23975 2/20 0.52
HTR2B P41595 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
PTGS1 P23219 2/20 0.52
FAAH O00519 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
GABRG2 P18507 1/20 0.52
HTR2C P28335 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52

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
SCHEMBL1494556 0.85 GABRA1 (0.56) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL16528000 0.82 GABRA1 (0.59) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL6285831 0.82 GABRA1 (0.48) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL30099845 0.81 LMNA (0.52) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL30701932 0.81 LMNA (0.53) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL3823029 0.81 GABRA1 (0.46) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL366229 0.81 GABRA1 (0.52) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL30400912 0.80 TSHR (0.43) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL9556357 0.79 GABRA1 (0.50) GABRA1GABRB1GABRB2LMNASLC6A2
SCHEMBL30411767 0.79 GABRA1 (0.50) GABRA1GABRB1GABRB2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069779-A1 METHOD FOR PRODUCING 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 WO claimed
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
EP-1214290-B1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING THEM AND THEIR USE IN HYDROCYANATION REACTIONS INVISTA TECH SARL (US) 2006-11-02 EP disclosed
US-6812352-B2 REACTING AN ACYCLIC, ALIPHATIC, MONOETHYLENICALLY UNSATURATED COMPOUND WITH A SOURCE OF HCN IN THE PRESENCE OF A CATALYST PRECURSOR COMPOSITION COMPRISING A LEWIS ACID, A ZERO-VALENT NICKEL, AND A MULTIDENTATE PHOSPHITE LIGAND FOR HYDROCYANATION INVISTA NORTH AMERICA S.A.R.L. 2004-11-02 US 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
EP-1214290-A1 MULTIDENTATE PHOSPHITE LIGANDS AND CATALYTIC COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-19 EP disclosed
WO-2001021580-A1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-03-29 WO 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 GABRA1 1613/4885GABRB1 1560/4885GABRB2 1409/4885
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 GABRA1 841/4885GABRB1 725/4885GABRB2 607/4885

“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.