SCHEMBL12734166

SCHEMBL12734166

COC(=O)c1cc2cc(Oc3ccc(C)cn3)cc(OC)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.44
ABL1 P00519 4/20 0.40
SRC P12931 4/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL12734167 0.90 KDM4E (0.46) XDHGAARAB9ANPC1MITF
SCHEMBL12734170 0.89 CHEK2 (0.42) GAARAB9ANPC1MITFTP53
SCHEMBL12734163 0.88 XDH (0.45) XDHABL1SRCRAB9AKDM4E
SCHEMBL12734175 0.87 XDH (0.39) XDHABL1SRCKDM4E
SCHEMBL1077370 0.85 XDH (0.43) XDHABL1SRCGAAGLA
SCHEMBL12734173 0.85 ABCB1 (0.37) GAARAB9ANPC1MITFTP53
SCHEMBL12734129 0.81 XDH (0.47) XDHABL1SRCGAAGLA
SCHEMBL12734104 0.80 KDM4E (0.42) GAAGLARAB9ANPC1KMT2A
SCHEMBL12734158 0.79 KDM4E (0.42) GAAGLARAB9ANPC1KMT2A
SCHEMBL6515657 0.78 XDH (0.52) XDHGAAGLARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 XDH 806/4885ABL1 2097/4885SRC 1008/4885

“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.