SCHEMBL2265893

SCHEMBL2265893

COC(=O)C(=O)c1c(OC)ccc2ccoc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.47
LMNA P02545 4/20 0.41
KCNA3 P22001 8/20 0.40
MCL1 Q07820 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3836766 0.86 CA9 (0.48) CA9LMNAKCNA3MCL1CA12
SCHEMBL5254290 0.86 CA9 (0.45) CA9LMNAKCNA3MCL1CA12
SCHEMBL2260799 0.73 LCLAT1 (0.39) LMNAKCNA3ALDH1A1HPGDSMN1; SMN2
SCHEMBL28512047 0.71 MCL1 (0.39) CA9LMNAMCL1CA12CA1
SCHEMBL5987065 0.70 CYP3A4 (0.44) CA9LMNAKCNA3MCL1CYP3A4
SCHEMBL30879595 0.70 CYP1A2 (0.51) CA9LMNAKCNA3MCL1CA12
SCHEMBL27499528 0.70 CYP1A2 (0.51) CA9LMNAKCNA3MCL1CA12
SCHEMBL5987900 0.68 HTR2A (0.42) CA9LMNAMCL1CYP3A4KDM4E
SCHEMBL30659689 0.68 CYP3A4 (0.42) CA9LMNAMCL1CA12CA1
SCHEMBL10158521 0.68 CYP3A4 (0.42) CA9LMNAMCL1CA12CA1

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-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

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 CA9 3927/4885LMNA 3305/4885KCNA3 2940/4885

“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.