SCHEMBL10041985

SCHEMBL10041985

CCCC(Oc1cc(OC(C)C)ccc1-c1oncc1-c1ccc(OC)cc1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MDM2 Q00987 7/20 0.37
TP53 P04637 6/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.33
BCHE P06276 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL764918 0.93 MEN1 (0.40) MEN1KMT2AMDM2TP53NPC1
SCHEMBL10042008 0.93 MEN1 (0.43) MEN1KMT2AMDM2TP53NPC1
SCHEMBL10041941 0.92 MEN1 (0.43) MEN1KMT2AMDM2TP53NPC1
SCHEMBL763401 0.90 MEN1 (0.41) MEN1KMT2AMDM2TGFBR1ACVR1
SCHEMBL764515 0.86 MEN1 (0.41) MEN1KMT2AMDM2TP53NPC1
SCHEMBL763877 0.85 MEN1 (0.40) MEN1KMT2AMDM2TP53NPC1
SCHEMBL763875 0.84 MEN1 (0.39) MEN1KMT2AMDM2TGFBR1ACVR1
SCHEMBL739297 0.79 PTPN1 (0.47) MEN1KMT2AMDM2TP53NPC1
SCHEMBL740876 0.78 PTPN1 (0.47) MEN1KMT2AMDM2TP53NPC1
SCHEMBL739352 0.78 PTPN1 (0.47) MEN1KMT2AMDM2TP53NPC1

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 MEN1 563/4885KMT2A 2590/4885MDM2 3669/4885

“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.