SCHEMBL1225501

SCHEMBL1225501

CCOC(=O)C1CC(=O)CC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.37
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
CA12 O43570 4/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.33
NLRP3 Q96P20 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12885645 1.00 KDM4E (0.40) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL1225989 0.92 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL12885639 0.92 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL8709109 0.90 KDM4E (0.36) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL8703408 0.88 MMP2 (0.34) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL8703906 0.85 POLB (0.39) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL8019384 0.83 POLB (0.36) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL8022828 0.82 TP53 (0.39) KDM4EKMT2AMEN1POLBCYP3A4
SCHEMBL8709035 0.82 CA1 (0.37) KDM4EKMT2AALDH1A1MEN1GAA
SCHEMBL8704002 0.82 CA1 (0.37) KDM4EKMT2AALDH1A1MEN1GAA

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-8367873-B2 Phenyl-substituted bicyclooctane-1,3-dione derivatives BAYER CROPSCIENCE AG (DE) 2013-02-05 US disclosed
US-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 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-20110039701-A1 Phenyl-substituted Bicyclooctane-1,3-dione Derivatives DDT, PIP5K1B, PIP5K1C KDM4E 1388/4885KMT2A 2664/4885ALDH1A1 2618/4885

“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.