SCHEMBL1665129

SCHEMBL1665129

COC(=O)Oc1c(C=O)cccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.59
TLR2 O60603 1/20 0.56
ERN1 O75460 1/20 0.56
TLR1 Q15399 1/20 0.56
TLR6 Q9Y2C9 1/20 0.56
NFE2L2 Q16236 4/20 0.55
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX5 P09917 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL16112334 0.93 SRC (0.62) SRCTLR2ERN1TLR1TLR6
SCHEMBL16048364 0.85 SRC (0.60) SRCTLR2ERN1TLR1TLR6
SCHEMBL807200 0.85 TLR2 (0.62) SRCTLR2ERN1TLR1TLR6
SCHEMBL16072692 0.85 SRC (0.54) SRCTLR2ERN1TLR1TLR6
SCHEMBL3308881 0.84 SRC (0.56) SRCTLR2ERN1TLR1TLR6
SCHEMBL25304559 0.84 NFE2L2 (0.53) NFE2L2LMNAKDM4EHPGDCA1
O-Veratraldehyde SCHEMBL29923149 0.84 SRC (0.67) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL28289918 0.84 SRC (0.67) SRCTLR2ERN1TLR1TLR6
O-Veratraldehyde SCHEMBL319070 0.84 SRC (0.67) SRCTLR2ERN1TLR1TLR6
SCHEMBL4645064 0.84 SRC (0.59) SRCTLR2ERN1TLR1TLR6

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 10 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
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 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 SRC 4255/4885TLR2 4547/4885ERN1 3197/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SRC 4255/4885TLR2 4547/4885ERN1 3197/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN SRC 4255/4885TLR2 4547/4885ERN1 3197/4885

“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.