SCHEMBL6098654

SCHEMBL6098654

COc1ccc(C(=O)n2cc(C3=CC(=O)NC3=O)c3cc(OCc4ccccc4)ccc32)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCB1 P08183 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CREBBP Q92793 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ACHE P22303 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 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
SCHEMBL6100670 0.89 MAOB (0.43) CREBBPACHEMAOAMAOB
SCHEMBL6099369 0.87 KDM4E (0.42) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL7064807 0.85 MAPK1 (0.45) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL7064808 0.84 NPC1 (0.37) NPC1HPGDRAB9ASMN1; SMN2SMPD1
SCHEMBL6098735 0.84 BAZ2B (0.48) NPC1RAB9ACREBBPPPARGPPARD
SCHEMBL6098773 0.76 MAOB (0.37) HDAC1PPARGPPARDPPARAMAOA
SCHEMBL6098776 0.76 LTA4H (0.39) NPC1RAB9APPARGPPARDPPARA
SCHEMBL6098592 0.76 PPARD (0.48) PPARGPPARDPPARAMAOAMAOB
SCHEMBL6100606 0.75 PPARD (0.46) MAPTPPARGPPARDPPARAMAOA
SCHEMBL6097466 0.75 MAOB (0.44) NPC1RAB9APPARGPPARDPPARA

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-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 US disclosed
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 WO 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF NPC1 2617/4885HPGD 475/4885RAB9A 3387/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF NPC1 2589/4885HPGD 405/4885RAB9A 3429/4885

“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.