SCHEMBL1666053

SCHEMBL1666053

COc1ccc(OC(=O)OC2CCCCC2)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ERN1 O75460 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL1665185 0.99 ALDH1A1 (0.47) ALDH1A1ERN1MEN1KMT2AKDM4E
SCHEMBL1665901 0.83 SRC (0.38) ALDH1A1ERN1KDM4ERAB9APTGDR2
SCHEMBL16112011 0.82 ALDH1A1 (0.61) ALDH1A1ERN1MEN1KMT2AKDM4E
SCHEMBL1665204 0.82 SRC (0.39) ALDH1A1ERN1KDM4ERAB9APTGDR2
SCHEMBL1665659 0.81 SRC (0.48) ALDH1A1MEN1KMT2ARAB9APTGDR2
SCHEMBL1665643 0.80 ALDH1A1 (0.57) ALDH1A1ERN1MEN1KMT2AKDM4E
SCHEMBL12671190 0.80 SRC (0.46) ALDH1A1ERN1MEN1KMT2APTGDR2
SCHEMBL1665943 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9ATRIM24TRIM33
SCHEMBL1665920 0.78 PTGDR2 (0.46) ALDH1A1ERN1MEN1KMT2ARAB9A
SCHEMBL1667870 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9ATRIM24TRIM33

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 3197/4885MEN1 587/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885ERN1 3197/4885MEN1 587/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885ERN1 3197/4885MEN1 587/4885

“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.