SCHEMBL1666002

SCHEMBL1666002

CCOC(=O)Oc1ccc(C=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
CUL4A Q13619 1/20 0.46
FBP1 P09467 1/20 0.44
TTR P02766 1/20 0.43
TACR2 P21452 1/20 0.43
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
AOX1 Q06278 1/20 0.41
RORC P51449 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7272198 0.86 ALDH1A1 (0.51) ALDH1A1AOX1TSHRKDM4EHPGD
SCHEMBL11003780 0.82 ALDH1A1 (0.60) ALDH1A1AOX1TSHRKDM4EHPGD
SCHEMBL2391067 0.80 ALDH1A1 (0.55) ALDH1A1TTRALDH3A1ALDH1A3AOX1
SCHEMBL31047106 0.79 CUL4A (0.48) ALDH1A1CUL4AL3MBTL1RORCTSHR
SCHEMBL810361 0.79 CUL4A (0.48) ALDH1A1CUL4AL3MBTL1RORCTSHR
SCHEMBL4682766 0.78 FBP1 (0.69) ALDH1A1FBP1TTRTACR2TSHR
SCHEMBL566725 0.78 ALDH1A1 (0.60) ALDH1A1TTRTACR2ALDH3A1ALDH1A3
SCHEMBL30902399 0.78 ALDH1A1 (0.60) ALDH1A1TTRTACR2ALDH3A1ALDH1A3
SCHEMBL20211721 0.76 MAPT (0.49) ALDH1A1L3MBTL1LMNATSHRHPGD
SCHEMBL7571353 0.75 CYP1A2 (0.46) ALDH1A1CUL4AKDM4EHPGD

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 2404/4885CUL4A 4084/4885FBP1 6/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885CUL4A 4084/4885FBP1 6/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN ALDH1A1 2404/4885CUL4A 4084/4885FBP1 6/4885

“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.