SCHEMBL761932

SCHEMBL761932

COc1ccc(-c2cnoc2-c2ccc(OC(C)C)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDO2 P48775 1/20 0.36
APP P05067 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL738024 0.87 KMT2A (0.57) KMT2AMEN1SMN1; SMN2TP53
SCHEMBL10042006 0.82 KMT2A (0.49) KMT2AMEN1PTGS2HPGDRAB9A
SCHEMBL12338598 0.79 KMT2A (0.52) KMT2AMEN1PTGS2SMN1; SMN2CYP2C19
SCHEMBL739340 0.78 MEN1 (0.45) KMT2AMEN1SMN1; SMN2CYP2C19CYP11B1
SCHEMBL739570 0.77 MEN1 (0.44) KMT2AMEN1SMN1; SMN2CYP2C19CYP11B1
SCHEMBL740850 0.77 MEN1 (0.44) KMT2AMEN1SMN1; SMN2CYP2C19CYP11B1
SCHEMBL1167466 0.77 KMT2A (0.53) KMT2AMEN1PTGS2CYP2C19CYP11B1
SCHEMBL1337526 0.75 ACACB (0.60) KMT2AACACBACACAHPGD
SCHEMBL740385 0.74 TLR9 (0.42) KMT2AMEN1
SCHEMBL740901 0.73 PTPN1 (0.49) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138184-B2 Isoxazole derivatives and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-03-20 US disclosed
US-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-08-27 US 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-20090215768-A1 ISOXAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME TBXA2R, F12, PTH1R KMT2A 2590/4885MEN1 563/4885ACACB 3685/4885

“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.