SCHEMBL6793591

SCHEMBL6793591

COc1ccc2c(c1)CC/C(=C(/O)C(=O)O)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.52
KDM4E B2RXH2 4/20 0.52
GLA P06280 2/20 0.52
CYP26A1 O43174 2/20 0.50
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
MAPK14 Q16539 1/20 0.48
MEN1 O00255 1/20 0.48
ALPL P05186 1/20 0.48
CLK1 P49759 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6793599 1.00 MIF (0.52) MIFKDM4EGLACYP26A1MAPT
SCHEMBL12046659 0.85 KDM4E (0.50) MIFKDM4EGLACYP26A1MAPT
SCHEMBL6790419 0.80 CTNNB1 (0.40) MIFKDM4EGLACYP26A1
SCHEMBL6790423 0.80 CTNNB1 (0.40) MIFKDM4EGLACYP26A1
SCHEMBL8917505 0.80 MIF (0.50) MIFKDM4EGLACYP26A1MAPT
SCHEMBL8916715 0.80 MIF (0.50) MIFKDM4EGLACYP26A1MAPT
SCHEMBL6794880 0.79 METAP1 (0.57) MIFKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL6794886 0.79 METAP1 (0.57) MIFKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL11684649 0.78 KDM4E (0.57) MIFKDM4EGLACYP26A1MAPT
SCHEMBL1401357 0.77 KDM4E (0.50) MIFKDM4EGLACYP26A1MAPT

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 MIF 1051/4885KDM4E 2167/4885GLA 4217/4885

“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.