SCHEMBL6326124

SCHEMBL6326124

COCCOc1ccc(OCC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PTGS2 P35354 1/20 0.48

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
SCHEMBL6325847 0.87 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL3866097 0.86 MAPT (0.57) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL6321338 0.86 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL6328277 0.86 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL6318934 0.83 MAPT (0.78) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL4447937 0.83 MAPT (0.54) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6319805 0.83 MAPT (0.68) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL6202777 0.83 MAPT (0.64) MAPTLMNAKDM4EL3MBTL1NPC1
SCHEMBL14207930 0.82 DRD4 (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL4454647 0.81 MAPT (0.53) MAPTKDM4EL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-30 US disclosed
US-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-23 US 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 (2 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-20030018052-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP4X1, CYP1A1 MAPT 1375/4885LMNA 2000/4885KDM4E 515/4885
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP1A1, CYP4X1 MAPT 1704/4885LMNA 2149/4885KDM4E 549/4885

“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.