SCHEMBL6544765

SCHEMBL6544765

Oc1ccc(COc2cc[c]cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.60
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
BLM P54132 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
ATM Q13315 1/20 0.47
BCHE P06276 1/20 0.45
IDO1 P14902 2/20 0.45
F2 P00734 2/20 0.44

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
SCHEMBL5633306 0.84 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL11578826 0.84 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL543113 0.82 MAOB (0.54) APPLMNAMAPTPARP10ALDH1A1
SCHEMBL27553486 0.82 MAOB (0.61) APPGAAMAPTF2PRSS1
SCHEMBL1282632 0.82 LMNA (0.62) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL697362 0.82 MAOB (0.61) APPIDO1PARP10CASP3SENP8
SCHEMBL696444 0.82 MAOB (0.61) APPLMNAKMT2ABCHEIDO1
SCHEMBL1283621 0.82 APP (0.61) APPIDO1
SCHEMBL76993 0.81 LMNA (0.61) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL696888 0.80 MAOB (0.65)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106568790-B A kind of combination1The method of active ingredient in H-NMR and CRAFT technology qualitative and quantitative analysis Rhizoma Gastrodiaes 贵州省中国科学院天然产物化学重点实验室 2018-09-25 CN disclosed
CN-106568790-A Method for qualitatively and quantitatively analyzing effective component in gastrodia elata bl by combining 1H-NMR and CRAFT technology 贵州省中国科学院天然产物化学重点实验室 2017-04-19 CN 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
WO-2003068736-A2 MIXED STEROIDAL 1,2,4,5-TETRAOXANE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 WO 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 APP 4407/4885LMNA 4061/4885CYP1A2 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.