SCHEMBL10154073

SCHEMBL10154073

COc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(-c4ccncc4)c3)cc(OCc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.47
CYP17A1 P05093 1/20 0.47
MAOB P27338 4/20 0.46
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
NTRK2 Q16620 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
SLC2A1 P11166 1/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE5A O76074 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.89 APP (0.56) APPMAOBNPC1RAB9APOLB
SCHEMBL12637245 0.84 APP (0.59) APPMAOBNPC1RAB9APOLB
SCHEMBL10154065 0.81 APP (0.53) APPMAOBNPC1RAB9APOLB
SCHEMBL28366776 0.81 APP (0.65) APPMAOBNPC1RAB9APOLB
SCHEMBL22305118 0.75 NOS3 (0.50) MAOBSMN1; SMN2
SCHEMBL14547341 0.74 CYP17A1 (0.71) CYP17A1MAOBKDM4EUSP2NPC1
SCHEMBL4858769 0.74 PLK1 (0.48) APPCYP17A1MAOBSLC2A1SMN1; SMN2
SCHEMBL19708786 0.73 CYP17A1 (0.50) CYP17A1KDM4EUSP2NPC1PDE5A
SCHEMBL791922 0.73 MAOB (0.72) APPMAOBSLC2A1NPC1RAB9A
SCHEMBL3926741 0.73 MAOB (0.44) APPMAOBCSF1RKDM4ESLC2A1

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 2040/4885CYP17A1 2484/4885MAOB 2869/4885

“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.