SCHEMBL6544326

SCHEMBL6544326

CC(C)(C)c1cc(-c2cc[c]cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.68
CA1 P00915 2/20 0.68
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
NISCH Q9Y2I1 1/20 0.45
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
HPN P05981 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
PTGS1 P23219 5/20 0.43
PTGS2 P35354 4/20 0.43
MEN1 O00255 1/20 0.41
RGS12 O14924 1/20 0.41
NPC1 O15118 1/20 0.41
GMNN O75496 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
SCHEMBL803157 0.82 CA2 (1.00) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL426214 0.79 CA2 (0.74) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3812524 0.79 CA2 (0.74) CA2CA1CYP1A2CYP2C9CYP2C19
Benzene SCHEMBL29148570 0.79 CA2 (0.74) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL27846334 0.79 CA2 (0.74) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL10024124 0.78 CA2 (0.71) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL11350875 0.78 CA2 (0.71) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL13840641 0.78 CA2 (0.71) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL15445307 0.78 CA2 (0.71) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL9524225 0.76 CA2 (0.68) CA2CA1CYP1A2CYP2C9CYP2C19

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
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
CN-102257051-A Polyolefin composition for water pipes with improved chlorine resistance BOREALIS AG 2011-11-23 CN disclosed
CN-102257053-A Polyolefin composition for water pipes with improved chlorine dioxide resistance BOREALIS AG 2011-11-23 CN disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CA2 1244/4885CA1 2146/4885CYP1A2 516/4885

“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.