SCHEMBL408908

SCHEMBL408908

CCOC(=O)C1CCn2cc(C(C)(C)C)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL24493337 0.89 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1PKMHTT
SCHEMBL407432 0.82 KDM4E (0.38) KMT2AMEN1ALDH1A1GAAHSD17B10
Hydrochloric Acid SCHEMBL441936 0.81 KDM4E (0.38) KMT2AMEN1ALDH1A1GAAHSD17B10
SCHEMBL439468 0.78 PKM (0.48) KMT2AMEN1ALDH1A1PKMHTT
SCHEMBL28369576 0.75 GAA (0.43) KMT2AALDH1A1GAAHTTRAB9A
SCHEMBL28373482 0.75 GAA (0.43) KMT2AALDH1A1GAAHTTRAB9A
SCHEMBL8985203 0.74 CYP2C19 (0.46) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL2161801 0.72 MEN1 (0.43) KMT2AMEN1ALDH1A1GAAPKM
SCHEMBL31133127 0.72 KMT2A (0.49) KMT2AALDH1A1GAAPKMHTT
SCHEMBL24493150 0.71 KDM4E (0.40) KMT2AMEN1ALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT KMT2A 667/4885MEN1 4411/4885ALDH1A1 272/4885

“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.