SCHEMBL6544832

SCHEMBL6544832

CC(C)(C)c1cc(Oc2cc[c]cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.53
CA1 P00915 2/20 0.53
ALOX15 P16050 3/20 0.44
MAPT P10636 2/20 0.44
HPN P05981 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
ESRRA P11474 1/20 0.43
GAA P10253 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38

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
SCHEMBL5082754 0.84 CA2 (0.71) CA2CA1ALOX15MAPTHPN
SCHEMBL5079351 0.81 CA2 (0.57) CA2CA1ALOX15MAPTHPN
SCHEMBL29084744 0.79 CA2 (0.53) CA2CA1ALOX15MAPTHPN
SCHEMBL6543866 0.77 ALDH1A1 (0.44) CA2CA1ALOX15MAPTALDH1A1
SCHEMBL6544326 0.76 CA2 (0.68) CA2CA1ALOX15MAPTHPN
SCHEMBL5584070 0.76 RAB9A (0.42) MAPTALDH1A1SMN1; SMN2POLBNPSR1
SCHEMBL6544942 0.76 CA1 (0.39) CA2CA1ALDH1A1SMN1; SMN2GAA
SCHEMBL10631750 0.75 CA2 (0.63) CA2CA1ALOX15MAPTHPN
SCHEMBL49624 0.73 CA2 (0.61) CA2CA1ALOX15MAPTHPN
SCHEMBL10387177 0.73 CA2 (0.57) CA2CA1ALOX15MAPTHPN

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
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
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
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 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
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN 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 2146/4885ALOX15 1574/4885

“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.