SCHEMBL5773847

SCHEMBL5773847

COC(=O)CCc1cnoc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PTPN1 P18031 2/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL5772543 0.97 CCNC (0.48) CCNCCDK8CYP11B1CYP11B2PTPN1
SCHEMBL5773406 0.88 CCNC (0.44) CCNCCDK8KDM4EMEN1GAA
SCHEMBL5773931 0.86 CYP11B1 (0.44) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5776975 0.86 KMT2A (0.49) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5773378 0.86 CYP11B1 (0.45) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5776590 0.86 PPARA (0.47) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5772977 0.85 VEGFA (0.43) CCNCCDK8PTPN1HPGDMEN1
SCHEMBL5773233 0.84 CCNC (0.41) CCNCCDK8CYP11B1CYP11B2KDM4E
SCHEMBL5774472 0.84 RXRA (0.50) CCNCCDK8PTGS1KDM4ETSHR
SCHEMBL5771681 0.83 TRPV1 (0.43) CCNCCDK8CYP11B1CYP11B2SMN1; SMN2

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 CCNC 3936/4885CDK8 3280/4885CYP11B1 10/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CCNC 3879/4885CDK8 3137/4885CYP11B1 9/4885

“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.