SCHEMBL5772652

SCHEMBL5772652

COc1ccc(-c2oncc2CCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PTGS2 P35354 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 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
SCHEMBL5775254 0.85 MEN1 (0.56) MEN1KMT2APTGS2CYP19A1CYP2C9
SCHEMBL5774918 0.84 CYP19A1 (0.39) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5775940 0.82 MEN1 (0.46) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL5773877 0.82 DHODH (0.38) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5773427 0.81 TDO2 (0.42) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5774173 0.81 SIRT2 (0.52) CYP19A1CYP2C9CYP2C19CYP11B1CYP11B2
SCHEMBL5777551 0.81 TDO2 (0.42) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5774064 0.81 PPARA (0.42) MEN1KMT2ACYP19A1CYP2C9CYP2C19
SCHEMBL5774360 0.81 LMNA (0.57) MEN1KMT2APTGS2LMNAATM
SCHEMBL5776248 0.80 TDO2 (0.45) CYP11B1CYP11B2SIRT2

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 MEN1 2811/4885KMT2A 3907/4885PTGS2 2873/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885PTGS2 2585/4885

“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.