SCHEMBL1244520

SCHEMBL1244520

Cc1c(C(C)C)cc(C(C)C)c(-c2c(C(C)C)cc(C(C)C)c(C)c2O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.48
GABRB1 P18505 5/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GABRB2 P47870 4/20 0.43
LMNA P02545 3/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2B P41595 2/20 0.41
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 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
SCHEMBL214386 0.84 GABRA1 (0.46) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL4625321 0.84 GABRA1 (0.46) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL16605720 0.83 CA1 (0.54) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL4613445 0.80 GABRA1 (0.54) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL11061545 0.77 CA1 (0.59) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1242976 0.77 CA2 (0.42) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL1242990 0.77 GABRA1 (0.41) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL5523844 0.76 GABRA1 (0.50) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL28849208 0.76 CA1 (0.46) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL11653105 0.76 GABRA1 (0.43) 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 6 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-1448620-B1 SUPPORTED BIS(PHOSPHORUS)LIGANDS AND THEIR USE IN THE CATALYSIS INVISTA TECH SARL (CH) 2008-06-04 EP 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-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-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 GABRA1 1613/4885GABRB1 1560/4885CA1 2816/4885

“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.