SCHEMBL1667773

SCHEMBL1667773

CC(C)(C)OC(=O)[C](Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
AAK1 Q2M2I8 1/20 0.39
ATM Q13315 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
ELANE P08246 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
SRC P12931 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL8752596 0.80 CES2 (0.52) TSHRTDP1ALDH1A1HSD17B10ATM
SCHEMBL19464085 0.78 TDP1 (0.48) TSHRTDP1ALDH1A1HSD17B10AAK1
SCHEMBL3875454 0.77 TDP1 (0.58) TSHRTDP1ALDH1A1HSD17B10AAK1
SCHEMBL17552375 0.76 TSHR (0.46) TSHRTDP1ALDH1A1HSD17B10AAK1
Hydrochloric Acid SCHEMBL31332428 0.76 TDP1 (0.57) TSHRTDP1ALDH1A1HSD17B10AAK1
SCHEMBL10442833 0.76 TDP1 (0.55) TSHRTDP1ALDH1A1HSD17B10AAK1
SCHEMBL10770600 0.76 CES2 (0.50) TSHRTDP1ALDH1A1HSD17B10AAK1
Hydrogen Peroxide SCHEMBL28425777 0.75 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10F2
SCHEMBL260960 0.75 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10F2
SCHEMBL29199324 0.75 TDP1 (0.64) TSHRTDP1ALDH1A1HSD17B10F2

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 11 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
CN-102630227-B Be used for the treatment of the bisphosphonate compound of bone metabolism disturbance WARNER CHILCOTT Co.,LLC (US) 2016-03-23 CN 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
CN-102630227-A Bisphosphonate compounds for treating bone metabolism disorders WARNER CHILCOTT CO LLC 2012-08-08 CN 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 TSHR 3291/4885TDP1 4616/4885ALDH1A1 2404/4885
US-20110098251-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN TSHR 3291/4885TDP1 4616/4885ALDH1A1 2404/4885
US-20130035482-A1 BISPHOSPHONATE COMPOUNDS BPGM, PPIP5K2, PTEN TSHR 3291/4885TDP1 4616/4885ALDH1A1 2404/4885

“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.