SCHEMBL1665154

SCHEMBL1665154

CC(=O)OCC(C)(C)C(=O)Oc1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SRC P12931 3/20 0.40
TLR2 O60603 1/20 0.40
ERN1 O75460 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
ELANE P08246 3/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL2763259 0.80 PTGDR2 (0.41) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1199476 0.78 ELANE (0.61) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL870959 0.76 ALDH1A1 (0.55) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
Benzene SCHEMBL3155472 0.74 ALDH1A1 (0.58) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1978896 0.74 ALDH1A1 (0.59) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL28063651 0.72 ALDH1A1 (0.61) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL9120033 0.72 ALDH1A1 (0.61) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
Naphthalene SCHEMBL3150577 0.72 KMT2A (0.52) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL17103353 0.72 ALDH1A1 (0.66) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL29246389 0.71 GAA (0.51) HTTSMN1; SMN2LMNAGAANPSR1

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 PTGDR2 249/4885ALDH1A1 2404/4885HPGD 358/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN PTGDR2 249/4885ALDH1A1 2404/4885HPGD 358/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN PTGDR2 249/4885ALDH1A1 2404/4885HPGD 358/4885

“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.