SCHEMBL1666252

SCHEMBL1666252

CC(C)OC(=O)Oc1ccc(-c2ccccc2)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
ERN1 O75460 12/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL1665175 0.82 PTGDR2 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1667254 0.79 ERN1 (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1667779 0.78 ALDH1A1 (0.51) MAPTALDH1A1KDM4EERN1
SCHEMBL5696591 0.75 MAPT (0.59) MAPTMEN1KMT2APDCD1CD274
SCHEMBL4600135 0.75 ALDH1A1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL23271942 0.74 TSHR (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL30003452 0.74 TSHR (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1665236 0.73 PDCD1 (0.40) MAPTALDH1A1PDCD1CD274PTGDR2
SCHEMBL17720764 0.72 PDCD1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL22882734 0.72 ALDH1A1 (0.50) MAPTALDH1A1KDM4EMEN1KMT2A

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 MAPT 4524/4885ALDH1A1 2404/4885KDM4E 2687/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN MAPT 4524/4885ALDH1A1 2404/4885KDM4E 2687/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN MAPT 4524/4885ALDH1A1 2404/4885KDM4E 2687/4885

“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.