SCHEMBL6790419

SCHEMBL6790419

COCCOCOc1ccc2c(c1)CC/C(=C(/O)C(=O)O)C2=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
AOC3 Q16853 2/20 0.38
MIF P14174 4/20 0.38
CYP26A1 O43174 1/20 0.37
MAOB P27338 4/20 0.36
RARG P13631 4/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6790423 1.00 CTNNB1 (0.40) CTNNB1ITGB3ITGA2BAOC3MIF
SCHEMBL6793599 0.80 MIF (0.52) MIFCYP26A1KDM4EGLA
SCHEMBL6793591 0.80 MIF (0.52) MIFCYP26A1KDM4EGLA
SCHEMBL8125885 0.76 MAOB (0.56) MAOBHRH3
SCHEMBL6792508 0.72 MEN1 (0.70) CTNNB1AOC3RARGKDM4EHRH3
SCHEMBL12046659 0.70 KDM4E (0.50) MIFCYP26A1KDM4EGLA
SCHEMBL6793267 0.70 MEN1 (0.57) CTNNB1AOC3KDM4EHRH3
SCHEMBL4815741 0.69 MAOB (0.63) MAOBHRH3
SCHEMBL9740545 0.68 MAOB (0.57) MAOBHRH3
SCHEMBL30746234 0.68 MPO (0.37) CTNNB1ITGB3ITGA2BAOC3CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CTNNB1 3527/4885ITGB3 4001/4885ITGA2B 3448/4885

“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.