SCHEMBL6543528

SCHEMBL6543528

CC(C)(C)c1cc(-c2ccc[c]n2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 1/20 0.50
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
NISCH Q9Y2I1 1/20 0.39
PTPN1 P18031 1/20 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
SCHEMBL6544752 0.78 CA1 (0.45) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL6543657 0.74 CA2 (0.45) CA2CA1ALDH1A1POLBTYR
SCHEMBL6544372 0.74 HPN (0.45) CA2CA1ALDH1A1POLBTYR
SCHEMBL6543569 0.74 ALDH1A1 (0.45) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL9158343 0.73 CA2 (0.53) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL3591276 0.73 KIF11 (0.42) ALDH1A1TYRSMN1; SMN2NISCH
SCHEMBL2752854 0.72 ADORA2A (0.34) SMN1; SMN2
SCHEMBL6544830 0.71 ALDH1A1 (0.42) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL803157 0.70 CA2 (1.00) CA2CA1CYP1A2CYP2C9CYP2C19
SCHEMBL6544558 0.70 MAPT (0.54) ALDH1A1POLBSMN1; SMN2

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 4 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
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.