SCHEMBL1665626

SCHEMBL1665626

COc1ccc(OC(=O)N2CCOC2=O)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TRIM24 O15164 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL1665134 0.85 NAAA (0.39) ALDH1A1NAAACYP1A2CYP2C9CYP2C19
SCHEMBL1665934 0.83 NAAA (0.42) ALDH1A1ERN1KDM4EPOLBNAAA
SCHEMBL1665893 0.82 TP53 (0.45) ALDH1A1NAAATP53MEN1KMT2A
SCHEMBL4644515 0.78 ALDH1A1 (0.57) ALDH1A1ERN1KDM4ERAB9ATRIM24
SCHEMBL1665656 0.76 NAAA (0.40) NAAA
SCHEMBL16112011 0.74 ALDH1A1 (0.61) ALDH1A1ERN1KDM4ERAB9ATRIM24
SCHEMBL1668216 0.74 NAAA (0.45) ALDH1A1KDM4ENAAACYP1A2CYP2C9
SCHEMBL16045979 0.73 ALDH1A1 (0.59) ALDH1A1ERN1KDM4ERAB9ATRIM24
SCHEMBL4644522 0.73 ALDH1A1 (0.59) ALDH1A1ERN1KDM4ERAB9ATRIM24
SCHEMBL1667865 0.73 ALDH1A3 (0.43) ALDH1A1RAB9ANAAAKMT2A

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 2404/4885ERN1 3197/4885KDM4E 2687/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885ERN1 3197/4885KDM4E 2687/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885ERN1 3197/4885KDM4E 2687/4885

“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.

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