SCHEMBL5212142

SCHEMBL5212142

COC(=O)CCc1oc(=O)[nH]c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
PTPN1 P18031 2/20 0.41
EGFR P00533 3/20 0.40
SRC P12931 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL6604920 0.87 EGFR (0.46) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5212912 0.87 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5212080 0.87 MAPK14 (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5207996 0.85 EGFR (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1361189 0.84 APOL1 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1361195 0.81 EGFR (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7462336 0.80 EGFR (0.41) ALDH1A1HPGDEGFRMAPT
SCHEMBL5856050 0.70 KDM4E (0.62) KDM4EHPGDPPARD
SCHEMBL2845353 0.70 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL5402803 0.69 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HPGDMAPT

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 KDM4E 2428/4885ALDH1A1 1651/4885SMN1; SMN2 584/4885

“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.