SCHEMBL1665236

SCHEMBL1665236

CC(C)OC(=O)Oc1c(C=O)cccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.40
CD274 Q9NZQ7 5/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BACE1 P56817 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
TSHR P16473 1/20 0.35
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL17720744 0.87 PDCD1 (0.47) PDCD1CD274CA1CA2MAPT
SCHEMBL3273244 0.80 CA1 (0.40) CA1CA2MAPTNPC1ALDH1A1
SCHEMBL17720773 0.79 TSHR (0.42) PDCD1CD274MAPTSMN1; SMN2BACE1
SCHEMBL1665175 0.76 PTGDR2 (0.51) PTGDR2MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL17720764 0.75 PDCD1 (0.47) PDCD1CD274MAPTALDH1A1SMN1; SMN2
SCHEMBL17720731 0.75 BACE1 (0.43) PDCD1CD274MAPTALDH1A1BACE1
SCHEMBL1642697 0.75 CA1 (0.56) CA1CA2MAPTALDH1A1TSHR
SCHEMBL9219398 0.74 PTGDR2 (0.58) PTGDR2
SCHEMBL17720734 0.73 MAPT (0.48) PDCD1CD274MAPTALDH1A1BACE1
SCHEMBL1666252 0.73 MAPT (0.54) PDCD1CD274PTGDR2MAPTALDH1A1

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 PDCD1 4324/4885CD274 4798/4885PTGDR2 249/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN PDCD1 4324/4885CD274 4798/4885PTGDR2 249/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN PDCD1 4324/4885CD274 4798/4885PTGDR2 249/4885

“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.