SCHEMBL2260799

SCHEMBL2260799

COC(=O)C(=O)c1cccc2ccoc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 1/20 0.39
POLQ O75417 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNA3 P22001 3/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
PLK1 P53350 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3794393 0.85 LMNA (0.46) LCLAT1MEN1ALDH1A1KMT2ANPC1
SCHEMBL3832066 0.81 PTPN1 (0.41) LCLAT1POLB
SCHEMBL3791164 0.79 MAOB (0.44) LCLAT1MEN1ALDH1A1KMT2ANPC1
SCHEMBL28191061 0.78 PLK1 (0.54) LCLAT1MEN1ALDH1A1KMT2ANPC1
SCHEMBL3247729 0.77 NR4A1 (0.48) LCLAT1ALDH1A1KMT2A
SCHEMBL25403499 0.76 HDAC8 (0.53) LCLAT1MEN1ALDH1A1KMT2ANPC1
SCHEMBL3792765 0.75 KDM4E (0.46) LCLAT1ALDH1A1NPC1GAARAB9A
SCHEMBL23175896 0.75 LCLAT1 (0.40) LCLAT1MEN1ALDH1A1KMT2ANPC1
SCHEMBL28059597 0.75 LCLAT1 (0.40) LCLAT1MEN1KMT2ANPC1RAB9A
SCHEMBL16981794 0.75 LCLAT1 (0.38) LCLAT1MEN1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 US disclosed
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
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 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
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 US 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 (2 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 LCLAT1 1948/4885POLQ 1388/4885MEN1 3239/4885
US-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 LCLAT1 1857/4885POLQ 1275/4885MEN1 1394/4885

“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.