SCHEMBL6809494

SCHEMBL6809494

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPRB P23467 1/20 0.44
ACP1 P24666 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.42
HTT P42858 2/20 0.41
LDHA P00338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL6809716 0.84 ESR1 (0.47) KMT2APTPN1PTPRBACP1MEN1
SCHEMBL15040339 0.83 MAPT (0.48) KMT2AL3MBTL1PTPN1PTPRBACP1
SCHEMBL6803939 0.83 MMP1 (0.47) KMT2AGLAMEN1ALDH1A1HTT
SCHEMBL6804218 0.82 KMT2A (0.43) KMT2AGLAL3MBTL1PTPN1PTPRB
SCHEMBL4313711 0.82 L3MBTL1 (0.44) KMT2AGLAL3MBTL1ALOX15MAPT
SCHEMBL6800561 0.79 SMN1; SMN2 (0.40) KMT2AGLAL3MBTL1MEN1ALDH1A1
SCHEMBL6803385 0.79 HSD17B2 (0.51) ALDH1A1GAAKDM4ETDP1
SCHEMBL24733330 0.78 MMP8 (0.56) KMT2AGLAL3MBTL1PTPRBMEN1
SCHEMBL21991487 0.78 CYP1A2 (0.45) KMT2AGLAL3MBTL1MEN1ALDH1A1
SCHEMBL3798352 0.78 KMT2A (0.50) KMT2AGLAL3MBTL1PTPRBMEN1

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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 KMT2A 3026/4885GLA 503/4885L3MBTL1 3222/4885

“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.