SCHEMBL10154065

SCHEMBL10154065

COc1ccc(COc2cc(COc3cncc(OCc4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)c3)cc(OCc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.53
MAOB P27338 6/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE2A O00408 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10154064 0.85 APP (0.56) APPMAOBNPC1RAB9APOLB
SCHEMBL31402943 0.85 APP (0.51) APPMAOBNPC1RAB9APOLB
SCHEMBL6833539 0.84 APP (0.50) APPMAOBNPC1RAB9APOLB
SCHEMBL6833613 0.84 MAOB (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL189829 0.84 MAOB (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL10154073 0.81 APP (0.47) APPMAOBNPC1RAB9APOLB
SCHEMBL4538153 0.81 MAOB (0.67) APPMAOB
SCHEMBL27996147 0.81 APP (0.58) APPMAOBNPC1RAB9APOLB
SCHEMBL17651874 0.80 ENPP2 (0.47) APPMAOBNPC1RAB9APOLB
SCHEMBL12637245 0.79 APP (0.59) APPMAOBNPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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 (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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC APP 2040/4885MAOB 2869/4885NPC1 2642/4885

“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.