SCHEMBL5018087

SCHEMBL5018087

CC(C)(C)OC(=O)Oc1cc(C(=O)O)cc(OC(=O)OC(C)(C)C)c1OC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA3 P07451 1/20 0.42
PKM P14618 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TPMT P51580 6/20 0.41
PTGS2 P35354 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL14417485 0.91 ELANE (0.41) ELANECA12CA1CA2CA4
SCHEMBL21824325 0.81 TPMT (0.50) ELANECA12CA1CA2CA4
SCHEMBL27051801 0.79 ELANE (0.49) ELANECA12CA1CA2CA4
SCHEMBL2221010 0.77 ELANE (0.49) ELANECA12CA1CA2CA7
SCHEMBL2223556 0.74 ELANE (0.52) ELANECA2
SCHEMBL27051629 0.74 TSHR (0.49) ELANECA12CA1CA2CA4
SCHEMBL4046263 0.73 CASP6 (0.53) ELANETSHRALDH1A1MAPT
SCHEMBL31597010 0.73 ELANE (0.43) ELANECA12CA1CA2CA4
SCHEMBL19859253 0.73 ELANE (0.43) ELANECA12CA1CA2CA4
SCHEMBL16785677 0.72 ACHE (0.48) ELANEPKMKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651200-B1 GALLOYLPEPTIDES ASTELLAS PHARMA INC (JP) 2008-12-24 EP claimed
US-7273951-B2 Polyhydroxy phenols and their use in binding p-selectin ASTELLAS PHARMA INC. (JP) 2007-09-25 US claimed
US-20060276545-A1 Polyhydroxy phenols and their use in binding p-selectin YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US claimed
EP-1651200-A1 POLYHYDROXY PHENOLS AND THEIR USE IN BINDNG P-SELECTIN Astellas Pharma Inc. (JP) 2006-05-03 EP claimed
WO-2004105740-A1 POLYHYDROXY PHENOLS AND THEIR USE IN BINDNG P-SELECTIN ASTELLAS PHARMA INC. (JP) 2004-12-09 WO claimed
EP-1651200-B1 GALLOYLPEPTIDES ASTELLAS PHARMA INC (JP) 2008-12-24 EP disclosed
US-7273951-B2 Polyhydroxy phenols and their use in binding p-selectin ASTELLAS PHARMA INC. (JP) 2007-09-25 US disclosed
US-7273951-B2 Polyhydroxy phenols and their use in binding p-selectin ASTELLAS PHARMA INC. (JP) 2007-09-25 US disclosed
US-20060276545-A1 Polyhydroxy phenols and their use in binding p-selectin YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1651200-A1 POLYHYDROXY PHENOLS AND THEIR USE IN BINDNG P-SELECTIN Astellas Pharma Inc. (JP) 2006-05-03 EP disclosed
WO-2004105740-A1 POLYHYDROXY PHENOLS AND THEIR USE IN BINDNG P-SELECTIN ASTELLAS PHARMA INC. (JP) 2004-12-09 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-20060276545-A1 Polyhydroxy phenols and their use in binding p-selectin SELP, SELPLG, SELE ELANE 162/4885CA12 2669/4885CA1 3907/4885

“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.