SCHEMBL6544752

SCHEMBL6544752

Cc1cc(-c2ccc[c]n2)cc(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 5/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
TTR P02766 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
FYN P06241 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL2752155 0.80 NPC1 (0.44) ALDH1A1PTGS2HSD17B1HSD17B2LMNA
SCHEMBL2752854 0.79 ADORA2A (0.34) ADORA2AADORA1ACHELMNA
SCHEMBL6543528 0.78 CA2 (0.50) CA1CA2ALDH1A1PTGS1PTGS2
SCHEMBL6544558 0.73 MAPT (0.54) ALDH1A1HSD17B1HSD17B2LMNAESR2
SCHEMBL5541082 0.73 SREBF2 (0.41) ALDH1A1LMNA
SCHEMBL1436062 0.73 IDO1 (0.46) ALDH1A1ACHE
SCHEMBL2750541 0.72 GRM5 (0.35)
SCHEMBL2753229 0.72 ADORA2A (0.36) ADORA2AADORA1
SCHEMBL6543852 0.71 ALDH1A1 (0.32) CA1CA2ALDH1A1ALOX5PTGS1
SCHEMBL6544806 0.71 SHBG (0.39) CA1CA2ALDH1A1ALOX5PTGS1

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-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 CA1 2146/4885CA2 1244/4885ADORA2A 1187/4885

“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.