SCHEMBL958591

SCHEMBL958591

COc1ccc(CCOc2cc(-c3cccc(C(=O)NCCN4CCCC4)c3)ccn2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.52
SIGMAR1 Q99720 2/20 0.49
HRH3 Q9Y5N1 3/20 0.49
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ERN1 O75460 1/20 0.46
TLR9 Q9NR96 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
TLR8 Q9NR97 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL963885 0.91 F10 (0.51) F10SIGMAR1HRH3MAPK1KMT2A
SCHEMBL960760 0.89 GPR52 (0.53) F10SIGMAR1HRH3KMT2APOLB
SCHEMBL960213 0.89 F10 (0.52) F10SIGMAR1HRH3MAPK1KMT2A
SCHEMBL960654 0.88 F10 (0.55) F10SIGMAR1HRH3KMT2AERN1
SCHEMBL959854 0.87 F10 (0.51) F10SIGMAR1HRH3MAPK1KMT2A
SCHEMBL962179 0.85 F10 (0.51) F10SIGMAR1HRH3MAPK1KMT2A
SCHEMBL12918993 0.82 ABCB1 (0.52) F10HRH3MAPK1POLBTP53
SCHEMBL12919090 0.82 MAP4K4 (0.54) KMT2ATLR9TLR7TLR8TP53
SCHEMBL12919003 0.80 ABCB1 (0.53) F10KMT2ATLR9TLR7TLR8
SCHEMBL958044 0.80 PTGDR (0.51) MAPK1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 F10 2704/4885SIGMAR1 320/4885HRH3 183/4885

“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.