SCHEMBL6328642

SCHEMBL6328642

COC(=O)C(=O)c1cn2c3c(cccc13)CC(C)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
CNR1 P21554 3/20 0.31
CNR2 P34972 2/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL6324878 0.86 CDK4 (0.37) PARP1CNR1CNR2MTNR1AMTNR1B
SCHEMBL6327649 0.85 CDK4 (0.36) PARP1CNR1MTNR1AMTNR1BCDK4
SCHEMBL2344849 0.81 PARP1 (0.44) PARP1MTNR1AMTNR1BALDH1A1RAB9A
SCHEMBL6326149 0.80 PARP1 (0.39) PARP1MTNR1AMTNR1BCDK4CCND1
SCHEMBL1719811 0.79 MTNR1A (0.51) PARP1MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL6326991 0.78 FKBP1A (0.33) PARP1CDK4CCND1
SCHEMBL6326994 0.78 PARP1 (0.31) PARP1
SCHEMBL5768646 0.78 MTNR1A (0.47) PARP1MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL13056761 0.77 PARP1 (0.41) PARP1MTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL6334232 0.77 KDM4E (0.44) PARP1CNR1CNR2MTNR1AMTNR1B

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-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
EP-1242420-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001044247-A2 AGENTS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2001-06-21 WO 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 PARP1 516/4885CNR1 2444/4885CNR2 3211/4885

“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.