SCHEMBL542508

SCHEMBL542508

COc1cc(C2(C)NC(=O)NC2=O)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP3K11 Q16584 2/20 0.43
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL542564 0.82 LMNA (0.64) LMNAKMT2AMEN1
SCHEMBL11091785 0.81 MAPT (0.46) LMNAKMT2AMEN1KDM4EMAPT
SCHEMBL20135360 0.78 LMNA (0.59) LMNAKMT2AMEN1MAPT
SCHEMBL1968434 0.75 LMNA (0.59) LMNAKMT2AMEN1MAPT
SCHEMBL542150 0.75 LMNA (0.59) LMNAKMT2AMEN1ALDH1A1
SCHEMBL20134874 0.75 LMNA (0.56) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL542810 0.75 LMNA (0.56) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL542334 0.73 LMNA (0.53) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL539101 0.72 LMNA (0.74) LMNAKMT2AMEN1ALDH1A1
SCHEMBL15973908 0.72 LMNA (0.46) LMNAKMT2AMEN1

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-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 LMNA 1674/4885KMT2A 1414/4885MEN1 3926/4885

“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.