SCHEMBL3209700

SCHEMBL3209700

Cc1cc(Cc2ccccc2C(C)(C)C)c(=O)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.43
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CALCRL Q16602 6/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ATM Q13315 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL3208721 0.77 MEN1 (0.39) ARKDM4E
SCHEMBL5435016 0.74 ALDH1A1 (0.48) KDM4EATM
SCHEMBL22186737 0.72 MAPT (0.40) MAPTKDM4E
SCHEMBL15306532 0.72 PTGS1 (0.40) MAPTKDM4EPDE4BATMDAO
SCHEMBL10048365 0.71 MAPT (0.62) ARMAPTKDM4EPDE4APDE4B
SCHEMBL3215294 0.71 AKR1B1 (0.43) ARKDM4E
SCHEMBL8480598 0.70 GRIN2D (0.45) ARMAPTKDM4EPDE4BATM
SCHEMBL756815 0.70 DAO (0.51) ARPDE4APDE4BPDE4CPDE4D
SCHEMBL6547971 0.69 GABRA1 (0.45) ARKDM4EATM
SCHEMBL21093803 0.69 MAPT (0.35) MAPTKDM4ECALCRLRETKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041661-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2010-02-18 US disclosed
EP-2079710-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-07-22 EP disclosed
WO-2008056897-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-05-15 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-20100041661-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 AR 3887/4885MAPT 944/4885KDM4E 1498/4885

“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.