SCHEMBL2261160

SCHEMBL2261160

CCOC(=O)C(=O)c1cc(OC)cc2ccoc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
KDM4E B2RXH2 5/20 0.40
CYP3A4 P08684 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
GAA P10253 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
GLA P06280 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CDC25B P30305 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL2263622 0.84 MAPT (0.41) MAOBALDH1A1HPGDKDM4EGAA
SCHEMBL3837130 0.82 KCNA3 (0.43) MAOBALDH1A1HPGDKDM4ECYP3A4
SCHEMBL9097330 0.79 CDC25B (0.48) ALDH1A1HPGDKDM4ECYP3A4SLC22A12
SCHEMBL9098304 0.77 KCNA3 (0.41) MAOBALDH1A1HPGDKDM4ECYP3A4
SCHEMBL4982336 0.76 L3MBTL1 (0.40) MAOBALDH1A1HPGDKDM4ECYP3A4
SCHEMBL5254290 0.72 CA9 (0.45) ALDH1A1HPGDGAACA12CA7
SCHEMBL2260593 0.72 KCNA3 (0.42) HPGDCDC25BLMNARAB9AKCNA3
SCHEMBL5253506 0.72 GPR55 (0.48) MAOBALDH1A1HPGDLMNARAB9A
SCHEMBL11536168 0.70 KCNA3 (0.52) MAOBKDM4ECYP3A4KCNA3MAPT
SCHEMBL10044955 0.70 CYP3A4 (0.42) MAOBALDH1A1HPGDKDM4ECYP3A4

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-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 CN 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-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MAOB 2064/4885ALDH1A1 1688/4885HPGD 1532/4885

“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.