SCHEMBL6552953

SCHEMBL6552953

CCOC1CC(c2ccccc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 2/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL14485165 0.84 DDB1 (0.40) KDM4ECYP19A1LMNA
SCHEMBL576925 0.76 KMT2A (0.41) KDM4ETSHRKMT2ACYP19A1LMNA
SCHEMBL6291805 0.73 PLA2G6 (0.41) TSHRKMT2A
SCHEMBL577132 0.73 KMT2A (0.41) KDM4ETSHRKMT2ACYP19A1
SCHEMBL12679302 0.71 TSHR (0.45) KDM4ETSHRKMT2ATDP1CYP19A1
SCHEMBL28763117 0.69 DDB1 (0.41) KDM4ETSHRKMT2ACYP19A1ADORA3
SCHEMBL25608600 0.69 PTGS2 (0.39) KDM4ETSHRKMT2AL3MBTL1CYP19A1
SCHEMBL21937605 0.67 DRD2 (0.41)
SCHEMBL18227515 0.67 CTRC (0.36) L3MBTL1CYP19A1
SCHEMBL18227614 0.67 CTRC (0.36) TSHRKMT2ACYP19A1

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-20040186104-A1 Novel pyridinone and related heterocyclic derivatives ASTRAZENECA AB (SE) 2004-09-23 US disclosed
EP-1387829-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES AstraZeneca AB (SE) 2004-02-11 EP disclosed
WO-2002090333-A1 NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-11-14 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-20040186104-A1 Novel pyridinone and related heterocyclic derivatives CBR1, CBR3, CHRM1 KDM4E 776/4885TSHR 1046/4885KMT2A 2407/4885

“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.