SCHEMBL1665643

SCHEMBL1665643

COC(=O)Oc1ccc(OC)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 2/20 0.56
RAB9A P51151 1/20 0.56
ERN1 O75460 3/20 0.56
TRIM24 O15164 1/20 0.51
TYR P14679 1/20 0.51
TRIM33 Q9UPN9 1/20 0.51
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL16112011 0.93 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL1667779 0.88 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL4680098 0.87 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL4644522 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL16045979 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL16072688 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL1665983 0.85 KDM4E (0.52) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL4642070 0.84 KDM4E (0.54) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL4644515 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ERAB9AERN1TRIM24
SCHEMBL4643634 0.83 KDM4E (0.53) ALDH1A1KDM4ERAB9AERN1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493905-B1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT CO LLC (PR) 2016-11-30 EP disclosed
US-8822435-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-09-02 US disclosed
US-20140194389-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2014-07-10 US disclosed
US-8710215-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2014-04-29 US disclosed
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2013-02-07 US disclosed
US-8314081-B2 Bisphosphonate compounds WARNER CHILCOTT COMPANY, LLC (US) 2012-11-20 US disclosed
EP-2493905-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS Warner Chilcott Company, LLC (PR) 2012-09-05 EP disclosed
WO-2011056589-A1 BISPHOSPHONATE COMPOUNDS FOR TREATING BONE METABOLISM DISORDERS WARNER CHILCOTT COMPANY, LLC (US) 2011-05-12 WO disclosed
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS WARNER CHILCOTT COMPANY, LLC (US) 2011-04-28 US 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 (3 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-20140194389-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885KDM4E 2687/4885RAB9A 556/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885KDM4E 2687/4885RAB9A 556/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885KDM4E 2687/4885RAB9A 556/4885

“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.