SCHEMBL542810

SCHEMBL542810

COc1cc(C2(C)NC(=O)NC2=O)ccc1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ADAM17 P78536 2/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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 0.89 LMNA (0.64) LMNAMEN1KMT2AADAM17
SCHEMBL543294 0.84 LMNA (0.49) LMNAGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL542334 0.79 LMNA (0.53) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL20135360 0.79 LMNA (0.59) LMNAMAPTMEN1KMT2AADAM17
SCHEMBL29688389 0.79 LMNA (0.59) LMNAMAPTMEN1KMT2AADAM17
SCHEMBL542150 0.79 LMNA (0.59) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1968434 0.79 LMNA (0.59) LMNAGAAMAPTMEN1KMT2A
SCHEMBL103835 0.77 LMNA (0.56) LMNAGAAMEN1KMT2AADAM17
SCHEMBL20134874 0.76 LMNA (0.56) LMNAALDH1A1MEN1KMT2AADAM17
SCHEMBL542508 0.75 LMNA (0.54) LMNAALDH1A1MAPTMEN1KMT2A

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 1674/4885GAA 2035/4885ALDH1A1 3263/4885

“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.