SCHEMBL6544372

SCHEMBL6544372

CC(C)(C)c1cc(Sc2ccc[c]n2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 5/20 0.35
PTGS2 P35354 5/20 0.35
ALOX5 P09917 3/20 0.35
NISCH Q9Y2I1 1/20 0.33
VCAM1 P19320 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6543852 0.80 ALDH1A1 (0.32) CA2CA1ALDH1A1LMNAPTGS1
SCHEMBL6543528 0.74 CA2 (0.50) CA2CA1ALDH1A1POLBTYR
SCHEMBL3177529 0.73 ALOX15 (0.71) HPNMAPTALOX15SIRT5CA2
SCHEMBL6544910 0.73 NR1H2 (0.46)
SCHEMBL6544365 0.71 MAPT (0.53) HPNMAPTALOX15SIRT5CA2
SCHEMBL7161874 0.71 HPN (0.57) HPNMAPTALOX15SIRT5CA2
SCHEMBL6543569 0.71 ALDH1A1 (0.45) MAPTALOX15CA2CA1ALDH1A1
SCHEMBL6543657 0.71 CA2 (0.45) HPNMAPTALOX15SIRT5CA2
SCHEMBL6543651 0.70 HPGD (0.40) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6544830 0.68 ALDH1A1 (0.42) MAPTALOX15CA2CA1ALDH1A1

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 HPN 2648/4885MAPT 4396/4885ALOX15 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.