SCHEMBL6544814

SCHEMBL6544814

Cc1cc(Oc2ccc[c]n2)cc(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
ALOX5 P09917 4/20 0.32
TTR P02766 1/20 0.32
HAO1 Q9UJM8 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6543657 0.80 CA2 (0.45) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL2750647 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL6543631 0.77 PTGS1 (0.34) ALDH1A1KDM4EPTGS1PTGS2MAPT
SCHEMBL9685498 0.76 MEN1 (0.52) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL6544233 0.76 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10PTGS1
SCHEMBL15923376 0.76 TYR (0.35) PTGS2ALOX5MAPTTSHRHTT
SCHEMBL2752320 0.75 FFAR4 (0.33)
SCHEMBL1451793 0.73 LTA4H (0.44) ALDH1A1KDM4EHPGDHAO1MAPT
SCHEMBL9480616 0.73 LTA4H (0.45) ALDH1A1CA1CA2HAO1MAPT
SCHEMBL9686682 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10CA1CA2

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 ALDH1A1 963/4885KDM4E 1467/4885HPGD 286/4885

“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.