SCHEMBL1012686

SCHEMBL1012686

C=C(c1cc(F)ccc1F)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PSMB5 P28074 2/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMA5 P28066 1/20 0.38
PSMB4 P28070 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
SCHEMBL1012685 1.00 CES2 (0.48) CES2CES1CA3CA6CA5A
SCHEMBL12909551 0.86 CES2 (0.50) CES2CES1CA3CA6CA5A
SCHEMBL9521302 0.85 CES2 (0.48) CES2CES1ALDH1A1
SCHEMBL7475182 0.85 CES2 (0.48) CES2CES1ALDH1A1
SCHEMBL7481905 0.85 CES2 (0.48) CES2CES1ALDH1A1
SCHEMBL28077039 0.79 CES2 (0.43) CES2CES1CA3CA6CA5A
SCHEMBL21990664 0.77 CES2 (0.64) CES2CES1CA3CA6CA5A
SCHEMBL30485128 0.77 CES2 (0.64) CES2CES1CA3CA6CA5A
SCHEMBL13580704 0.77 CES2 (0.64) CES2CES1CA3CA6CA5A
SCHEMBL2563657 0.77 CES2 (0.64) CES2CES1CA3CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076494-B2 Process for the manufacture of epoxy triazole derivatives BASILEA PHARMACEUTICA AG (CH) 2011-12-13 US disclosed
US-20110021794-A1 Process for the manufacture of epoxy triazole derivatives MULLER MARC 2011-01-27 US disclosed
US-7816537-B2 Process for the manufacture of epoxybutanol intermediates BASILEA PHARMACEUTICA AG (CH) 2010-10-19 US disclosed
EP-2133345-A1 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES Basilea Pharmaceutica AG (CH) 2009-12-16 EP disclosed
US-20090299073-A1 Process for the Manufacture of Epoxybutanol Intermediates MULLER MARC 2009-12-03 US disclosed
EP-1954264-B1 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2009-10-07 EP disclosed
EP-1954264-A2 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES Basilea Pharmaceutica AG (CH) 2008-08-13 EP disclosed
WO-2007062542-A2 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2007-06-07 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 (2 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-20110021794-A1 Process for the manufacture of epoxy triazole derivatives POR, CYP2E1, CYP1A1 CES2 70/4885CES1 159/4885CA3 845/4885
US-20090299073-A1 Process for the Manufacture of Epoxybutanol Intermediates POR, CYP4A11, CYP1A1 CES2 58/4885CES1 158/4885CA3 1680/4885

“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.