SCHEMBL3798352

SCHEMBL3798352

CCOC(=O)C(C)(C)Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
GLA P06280 1/20 0.50
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MMP8 P22894 1/20 0.46
ABCB11 O95342 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HTR2A P28223 1/20 0.45
PMP22 Q01453 1/20 0.45
PPARA Q07869 1/20 0.45
OPRK1 P41145 1/20 0.45
GAA P10253 1/20 0.45
PTPRB P23467 1/20 0.44
HTT P42858 2/20 0.44
LDHA P00338 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL24733330 0.87 MMP8 (0.56) KMT2AGLAALDH1A1L3MBTL1MMP8
SCHEMBL7128561 0.86 ALDH1A1 (0.50) KMT2AGLAALDH1A1L3MBTL1MMP8
SCHEMBL13903099 0.85 PTPRB (0.54) KMT2AALDH1A1L3MBTL1PTPRBHTT
SCHEMBL13170332 0.85 MMP8 (0.49) KMT2AALDH1A1MMP8ABCB11CYP1A2
SCHEMBL29277119 0.84 KMT2A (0.50) KMT2AGLAALDH1A1L3MBTL1MMP8
SCHEMBL22070681 0.83 MMP8 (0.48) ALDH1A1MMP8ABCB11CYP1A2CYP3A4
SCHEMBL8486868 0.83 ESR1 (0.50) KMT2AALDH1A1MMP8ABCB11CYP1A2
SCHEMBL3912206 0.83 ALDH1A1 (0.53) KMT2AGLAALDH1A1L3MBTL1GAA
SCHEMBL2906609 0.82 MMP8 (0.47) ALDH1A1MMP8ABCB11CYP1A2CYP3A4
SCHEMBL186196 0.82 MMP8 (0.47) KMT2AALDH1A1MMP8ABCB11CYP1A2

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-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB KMT2A 4864/4885GLA 173/4885ALDH1A1 3794/4885

“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.