SCHEMBL2137269

SCHEMBL2137269

CC(C)(C)[C@H]1COC(c2ccc(C3=N[C@@H](C(C)(C)C)CO3)cc2)=N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.40
POLB P06746 1/20 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
SCHEMBL12731996 0.91 MEN1 (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1660988 0.91 NPC1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12732002 0.87 MEN1 (0.35) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14351835 0.85 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL19367696 0.85 CNR2 (0.41) CNR2
SCHEMBL22444705 0.85 CNR2 (0.41) CNR2
SCHEMBL8790823 0.79 CNR2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9396559 0.79 NPC1 (0.34) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL14821169 0.78 CNR2 (0.42) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL14498459 0.78 MAPT (0.38) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 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 (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-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R MEN1 120/4885KMT2A 1055/4885NPC1 3683/4885

“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.