SCHEMBL2265895

SCHEMBL2265895

COc1ccc2cc(C)oc2c1C(=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 10/20 0.49
LMNA P02545 2/20 0.43
RECQL P46063 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CA12 O43570 8/20 0.40
CA1 P00915 8/20 0.40
CA7 P43166 8/20 0.40
CA13 Q8N1Q1 6/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
MCL1 Q07820 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CA2 P00918 3/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
MAPT P10636 1/20 0.39

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 0.76 CA9 (0.48) CA9LMNACA12CA1CA7
SCHEMBL2128656 0.74 MCL1 (0.60) CA9LMNARECQLABCG2CA12
SCHEMBL30878145 0.71 CA9 (0.50) CA9LMNARECQLABCG2CA12
SCHEMBL27032981 0.71 CA9 (0.50) CA9LMNARECQLABCG2CA12
SCHEMBL6904712 0.71 CA9 (0.64) CA9LMNARECQLCA12CA1
SCHEMBL2260801 0.69 CRBN (0.46) CA9LMNACA12CA1CA7
SCHEMBL18329482 0.69 STING1 (0.39) CA9LMNAALDH1A1KDM4EKMT2A
SCHEMBL27185509 0.69 CA9 (0.40) CA9LMNARECQLCA12CA1
SCHEMBL4236775 0.68 CA12 (0.69) CA9LMNACA12CA1CA7
SCHEMBL73415 0.67 LMNA (0.58) CA9LMNARECQLCA12CA1

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 3305/4885RECQL 886/4885

“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.