SCHEMBL6334232

SCHEMBL6334232

COC(=O)C(=O)c1cn2c3c(cccc13)CCC2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CNR1 P21554 4/20 0.41
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 6/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PARP1 P09874 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL6325314 0.85 CNR1 (0.42) KDM4ECNR1CNR2MEN1KMT2A
SCHEMBL7329638 0.83 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2CNR1PDE4A
SCHEMBL6329407 0.81 KDM4E (0.65) KDM4ESMN1; SMN2CYP1A2PDE4APDE4B
SCHEMBL2344849 0.80 PARP1 (0.44) KDM4ESMN1; SMN2HTR2AHTR2CPARP1
SCHEMBL3965154 0.78 KDM4E (0.67) KDM4ESMN1; SMN2CYP1A2CNR1PDE4A
SCHEMBL3966675 0.78 KDM4E (0.67) KDM4ESMN1; SMN2CYP1A2CNR1PDE4A
SCHEMBL1719811 0.78 MTNR1A (0.51) KDM4EHTR2AHTR2CPARP1MTNR1A
SCHEMBL6327389 0.77 CNR1 (0.37) CNR1CNR2
SCHEMBL6327392 0.77 CNR1 (0.35) CNR1
SCHEMBL5768646 0.77 MTNR1A (0.47) KDM4EHTR2AHTR2CPARP1MTNR1A

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 KDM4E 2625/4885SMN1; SMN2 2878/4885CYP1A2 3552/4885

“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.