SCHEMBL6544830

SCHEMBL6544830

CC(C)(C)c1cc(COc2ccc[c]n2)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN2A Q99250 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GMNN O75496 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
SCHEMBL6543631 0.82 PTGS1 (0.34) ALDH1A1TSHRLMNAMAPK1MAPT
SCHEMBL6543657 0.79 CA2 (0.45) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL6543805 0.76 CYP1A2 (0.46) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL6543569 0.76 ALDH1A1 (0.45) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL6543866 0.76 ALDH1A1 (0.44) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL15923225 0.75 TYR (0.36) TSHRMAPTHTTMEN1KMT2A
SCHEMBL9128805 0.75 MEN1 (0.51) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL9067574 0.73 ALDH1A1 (0.50) ALDH1A1TSHRGAALMNAMAPK1
SCHEMBL6543528 0.71 CA2 (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2477438 0.70 IL1B (0.34) TSHR

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 6 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
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 963/4885TSHR 790/4885GAA 3460/4885

“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.