SCHEMBL661775

SCHEMBL661775

CC(C)(C)[Si](C)(C)OCc1cc(CO)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP14 P54578 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 1/20 0.35
BACE1 P56817 1/20 0.34
IDO1 P14902 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
TTR P02766 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
TSHR P16473 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1751379 0.89 FFAR1 (0.34) USP14BACE1IDO1TSHRFFAR1
SCHEMBL1751844 0.85 CSNK2A1 (0.38) BACE1IDO1MRGPRX4
SCHEMBL23604474 0.83 BACE1 (0.41) BACE1HSD17B10
SCHEMBL662526 0.83 TAAR1 (0.46) BACE1IDO1SMN1; SMN2TSHR
SCHEMBL662525 0.83 HTR2A (0.40) BACE1SMN1; SMN2HPGDMRGPRX4TSHR
SCHEMBL22275630 0.82 BACE1 (0.36) USP14NPC1RAB9APOLBBACE1
SCHEMBL30080058 0.82 BACE1 (0.36) USP14NPC1RAB9APOLBBACE1
SCHEMBL662821 0.82 IDO1 (0.31) BACE1IDO1MAPT
SCHEMBL1750278 0.81 TSHR (0.58) BACE1SMN1; SMN2HPGDTSHR
SCHEMBL1751532 0.81 TSHR (0.45) RAB9APOLBBACE1SMN1; SMN2HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 USP14 3152/4885NPC1 2069/4885RAB9A 205/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT USP14 3243/4885NPC1 1488/4885RAB9A 252/4885

“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.