SCHEMBL1665945

SCHEMBL1665945

O=Cc1ccccc1OC(=O)OC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SRC P12931 3/20 0.46
KMT2A Q03164 6/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 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
SCHEMBL1665920 0.95 PTGDR2 (0.46) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL12671190 0.93 SRC (0.46) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1665659 0.92 SRC (0.48) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1006065 0.83 ALDH1A1 (0.59) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1397132 0.80 FABP7 (0.40) PTGDR2SMN1; SMN2SRCKMT2AMEN1
SCHEMBL21643943 0.78 ALDH1A1 (0.53) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1665204 0.77 SRC (0.39) PTGDR2ALDH1A1HPGDSRCLMNA
SCHEMBL1665178 0.77 HPGD (0.58) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1665901 0.76 SRC (0.38) PTGDR2ALDH1A1HPGDSRCLMNA
SCHEMBL1667797 0.76 ALDH1A1 (0.52) PTGDR2ALDH1A1HPGDHTTSMN1; SMN2

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.