SCHEMBL5776982

SCHEMBL5776982

COC(=O)CCc1cnoc1-c1ccc(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE4D Q08499 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.41
CYP1A2 P05177 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5773168 0.89 S1PR1 (0.48) MAPK1KMT2AMEN1ALDH1A1LMNA
SCHEMBL5776975 0.84 KMT2A (0.49) KMT2AMEN1CCNCCDK8ALDH1A1
SCHEMBL5776699 0.83 NOTUM (0.44) KMT2AMEN1CCNCCDK8LMNA
SCHEMBL5773992 0.83 CCNC (0.43) MAPK1KMT2AMEN1CCNCCDK8
SCHEMBL5773406 0.82 CCNC (0.44) KMT2AMEN1CCNCCDK8ALDH1A1
SCHEMBL5775001 0.82 CCNC (0.42) KMT2AMEN1CCNCCDK8MAPT
SCHEMBL5775940 0.81 MEN1 (0.46) MAPK1KMT2AMEN1PDE4DLMNA
SCHEMBL5776590 0.81 PPARA (0.47) KMT2AMEN1CCNCCDK8ALDH1A1
SCHEMBL5773378 0.81 CYP11B1 (0.45) CCNCCDK8ALDH1A1LMNAMAPT
SCHEMBL5773931 0.81 CYP11B1 (0.44) KMT2AMEN1CCNCCDK8ALDH1A1

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 MAPK1 1148/4885KMT2A 3907/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPK1 485/4885KMT2A 2906/4885MEN1 2072/4885

“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.