SCHEMBL6326976

SCHEMBL6326976

COC(=O)C(=O)c1cn2c3c(cc(OC)cc13)CCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
LIPG Q9Y5X9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL5768746 0.85 MTNR1A (0.35) TSHRMTNR1AMTNR1BMAPK1MAPT
SCHEMBL5796602 0.85 KDM4E (0.39) MTNR1AMTNR1BL3MBTL1
SCHEMBL11744513 0.81 ACHE (0.46) ACHEHSD17B10TSHRPDK1PDK2
SCHEMBL1719811 0.80 MTNR1A (0.51) HSD17B10MTNR1AMTNR1BALDH1A1
SCHEMBL5768646 0.77 MTNR1A (0.47) HSD17B10MTNR1AMTNR1BALDH1A1
SCHEMBL5765711 0.72 PARP1 (0.36) MTNR1AMTNR1BMAPT
SCHEMBL6334216 0.72 BCL2 (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1MAPT
SCHEMBL2344849 0.72 PARP1 (0.44) MTNR1AMTNR1BALDH1A1
SCHEMBL5768891 0.71 MTNR1A (0.35) MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL21941615 0.67 GSK3B (0.37) TSHRPDK1ALDH1A1

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-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 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-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 ACHE 4882/4885HSD17B10 2105/4885TSHR 2821/4885

“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.