SCHEMBL927465

SCHEMBL927465

COC(=O)c1ccc(COC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.50
CYP4A11 Q02928 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL13267205 0.95 LOXL2 (0.50) LOXL2CA1CA2CA12CA7
SCHEMBL3016158 0.91 PTPN11 (0.48) LOXL2CA1CA2CA12CA7
SCHEMBL20691174 0.86 BCHE (0.45) LOXL2SMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL17248037 0.86 KDM4E (0.45) LOXL2CA1CA2CA12CA7
SCHEMBL12470261 0.81 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL927089 0.81 ALDH1A1 (0.49) SMN1; SMN2NPC1ALDH1A1HPGDTSHR
SCHEMBL1422283 0.78 CYP4A11 (0.53) LOXL2SMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL6665979 0.78 LOXL2 (0.66) LOXL2CA1CA2CA12CA7
SCHEMBL2607023 0.78 LOXL2 (0.66) LOXL2CA1CA2CA12CA7
SCHEMBL3679215 0.78 BCHE (0.41) EPHX2

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-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 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-20110015225-A1 Heterocyclic compound MC1R, MCHR1, MCHR2 LOXL2 1678/4885CA1 4628/4885CA2 2125/4885

“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.