SCHEMBL1665856

SCHEMBL1665856

CC(C)OC(=O)Oc1cc(F)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 4/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TYR P14679 1/20 0.35

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 0.81 PTGDR2 (0.51) MAPTKDM4EGLAHTTRECQL
SCHEMBL23148078 0.79 ALDH1A1 (0.41) MAPTKDM4EHTTSMN1; SMN2ERN1
SCHEMBL1665865 0.79 MAPT (0.46) MAPTSMN1; SMN2ERN1ALDH1A1CYP1A2
SCHEMBL1665980 0.78 ALDH1A1 (0.38) MAPTERN1ALDH1A1CYP1A2TYR
SCHEMBL1667254 0.78 ERN1 (0.44) MAPTKDM4EGLAHTTRECQL
SCHEMBL20295181 0.77 ALDH1A1 (0.46) MAPTKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL17443390 0.76 ALOX15 (0.44) MAPTKDM4EGLARECQLERN1
SCHEMBL1667779 0.74 ALDH1A1 (0.51) MAPTKDM4EGLAHTTRECQL
SCHEMBL365682 0.73 ALDH1A1 (0.63) KDM4EERN1ALDH1A1CYP1A2CYP2C9
SCHEMBL22882734 0.73 ALDH1A1 (0.50) MAPTKDM4EGLAHTTRECQL

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 4524/4885KDM4E 2687/4885GLA 710/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN MAPT 4524/4885KDM4E 2687/4885GLA 710/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN MAPT 4524/4885KDM4E 2687/4885GLA 710/4885

“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.