SCHEMBL5776975

SCHEMBL5776975

COC(=O)CCc1cnoc1-c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
MAPT P10636 6/20 0.45
GAA P10253 4/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LMNA P02545 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.43
HTT P42858 2/20 0.43
HDAC1 Q13547 1/20 0.41
MIF P14174 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5774360 0.88 LMNA (0.57) KMT2AMEN1MAPTGAALMNA
SCHEMBL5773406 0.88 CCNC (0.44) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL5773931 0.87 CYP11B1 (0.44) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL5772543 0.87 CCNC (0.48) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL5773378 0.87 CYP11B1 (0.45) CCNCCDK8MAPTGAACYP11B1
SCHEMBL5776590 0.87 PPARA (0.47) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL5770267 0.87 CCNC (0.42) KMT2AMEN1CCNCCDK8HDAC1
SCHEMBL5773847 0.86 CCNC (0.47) KMT2AMEN1CCNCCDK8GAA
SCHEMBL5773233 0.85 CCNC (0.41) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL5771681 0.84 TRPV1 (0.43) CCNCCDK8MAPTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR KMT2A 3907/4885MEN1 2811/4885CCNC 3936/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 KMT2A 2906/4885MEN1 2072/4885CCNC 3879/4885

“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.