SCHEMBL214386

SCHEMBL214386

Cc1cc(C(C)C)c(-c2c(C(C)C)cc(C)c(C)c2O)c(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.46
GABRB1 P18505 4/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
GABRB2 P47870 4/20 0.41
LMNA P02545 3/20 0.41
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
PTGS1 P23219 2/20 0.39
FAAH O00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRG2 P18507 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL1244520 0.84 GABRA1 (0.48) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL4625321 0.82 GABRA1 (0.46) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL993799 0.82 GABRA1 (0.52) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL29484753 0.80 CA1 (0.43) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1244523 0.79 TSHR (0.42) GABRA1GABRB1CA1CA2HPGD
SCHEMBL4907907 0.79 CA1 (0.52) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL4613445 0.78 GABRA1 (0.54) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1973265 0.76 CA1 (0.48) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1242990 0.75 GABRA1 (0.41) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1242976 0.75 CA2 (0.42) GABRA1GABRB1CA1CA2GABRB2

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9517986-B2 Process for preparing 2,2′-biphenols using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2016-12-13 US claimed
US-20150336865-A1 PROCESS FOR PREPARING 2,2'-BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2015-11-26 US claimed
EP-2658651-B1 NICKEL COMPOSITIONS FOR PREPARING NICKEL METAL AND NICKEL COMPLEXES INVISTA TEXTILES UK LTD (GB) 2018-10-17 EP disclosed
US-9981257-B2 Metal-ligand catalyst formation INVISTA NORTH AMERICA S.A.R.L. (US) 2018-05-29 US disclosed
EP-2229353-B1 HYDROCYANATION OF PENTENENITRILES INVISTA TEXTILES (U K ) LTD (GB) 2018-01-03 EP disclosed
EP-2949638-B1 METHOD FOR THE PREPARATION OF 2,2 -BIPHENOLS USING SELENIUM DIOXIDE EVONIK DEGUSSA GMBH (DE) 2017-11-08 EP disclosed
EP-2614070-B1 NICKEL COMPOSITIONS FOR PREPARING NICKEL METAL AND NICKEL COMPLEXES INVISTA TECHNOLOGIES SARL (CH) 2017-07-26 EP disclosed
US-9687836-B2 Nickel form for preparation of catalytic nickel-ligand complexes INVISTA NORTH AMERICA S.A R.L. (US) 2017-06-27 US disclosed
US-9517986-B2 Process for preparing 2,2′-biphenols using selenium dioxide EVONIK DEGUSSA GMBH (DE) 2016-12-13 US disclosed
EP-2512673-B1 NICKEL METAL COMPOSITIONS AND NICKEL COMPLEXES DERIVED FROM BASIC NICKEL CARBONATES INVISTA Technologies S à r l (CH) 2016-09-28 EP disclosed
US-9371346-B2 Preparing a nickel phosphorus ligand complex INVISTA NORTH AMERICA S.A.R.L. (US) 2016-06-21 US disclosed
US-6984604-B2 Supported bis(phosphorus) ligands and their use in the catalysis INVISTA NORTH AMERICA S.A.R.L. (US) 2006-01-10 US disclosed
US-6924345-B2 Phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INVISTA NORTH AMERICA S.A R.L. (US) 2005-08-02 US disclosed
EP-1448298-A2 POLYMERIC PHOSPHORUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, UNSATURATED NITRILE ISOMERIZATION AND HYDROFORMYLATION REACTIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-08-25 EP disclosed
US-20040054105-A1 Phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INV NYLON CHEMICALS AMERICAS, LLC 2004-03-18 US disclosed
US-6660876-B2 Ethylenically unsaturated, phosphorus-containing, bidentate ligands E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-09 US disclosed
US-20030153691-A1 Supported bis(phosphorus) ligands and their use in the catalysis INVISTA NORTH AMERICA S.A.R.L. 2003-08-14 US disclosed
US-20030144440-A1 Phosphorus-containing compositions and their use in hydrocyanation, isomerization and hydroformylation reactions INV NYLON CHEMICALS AMERICAS, LLC 2003-07-31 US disclosed
WO-2003045552-A2 POLYMERIC PHOSPHORUS-CONTAINING COMPOSITIONS AND THEIR USE IN HYDROCYANATION, UNSATURATED NITRILE ISOMERIZATION AND HYDROFORMYLATION REACTIONS 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 (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 1560/4885CA1 2816/4885
US-20150336865-A1 PROCESS FOR PREPARING 2,2'-BIPHENOLS USING SELENIUM DIOXIDE SELENOI, PLK1, BPGM GABRA1 1551/4885GABRB1 1382/4885CA1 1654/4885

“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.