SCHEMBL1556957

SCHEMBL1556957

COC(=O)c1ccc(Oc2ccccc2[C@@H](C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 6/20 0.48
RAB9A P51151 3/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
LPAR1 Q92633 1/20 0.45
LPAR5 Q9H1C0 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL13597306 1.00 CA1 (0.49) CA1CA2L3MBTL1TDP1MAPT
SCHEMBL11411879 0.84 CA1 (0.62) CA1CA2L3MBTL1TDP1MAPT
SCHEMBL9242685 0.81 RAB9A (0.65) CA1CA2L3MBTL1TDP1MAPT
SCHEMBL1556369 0.81 MAPT (0.54) L3MBTL1MAPTRAB9ATSHRSMN1; SMN2
SCHEMBL2356142 0.79 SLC6A4 (0.49) L3MBTL1TSHRLMNAHTR2ASLC6A4
SCHEMBL1191950 0.78 TDP1 (0.68) CA1CA2L3MBTL1TDP1MAPT
SCHEMBL8782253 0.78 SLC6A3 (0.61) CA1CA2L3MBTL1TDP1MAPT
SCHEMBL14047222 0.78 HTR2A (0.66) L3MBTL1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL15515907 0.77 SLC6A4 (0.47) L3MBTL1TSHRLMNAHTR2ASLC6A4
SCHEMBL1339129 0.77 USP2 (0.57) CA1CA2L3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
EP-2308828-A2 CaSR antagonist Japan Tobacco Inc. (JP) 2011-04-13 EP disclosed
EP-2189439-A2 CaSR antagonist Japan Tobacco, Inc. (JP) 2010-05-26 EP disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
US-20090326058-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2009-12-31 US disclosed
EP-1619180-B1 CaSR ANTAGONIST JAPAN TOBACCO INC (JP) 2009-12-16 EP disclosed
US-20080255042-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2008-10-16 US disclosed
US-20080255042-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2008-10-16 US disclosed
US-7304174-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-12-04 US disclosed
US-7304174-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-12-04 US disclosed
US-7304174-B2 CaSR antagonist JAPAN TOBACCO INC. (JP) 2007-12-04 US disclosed
EP-1619180-A1 CaSR ANTAGONIST JAPAN TOBACCO INC. (JP) 2006-01-25 EP disclosed
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis JAPAN TOBACCO INC. 2005-02-10 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 (4 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-20090326058-A1 CaSR Antagonist CASR, CALCR, CALCRL CA1 831/4885CA2 23/4885L3MBTL1 4402/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL CA1 831/4885CA2 23/4885L3MBTL1 4402/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL CA1 831/4885CA2 23/4885L3MBTL1 4402/4885
US-20050032796-A1 Compounds as for example, 2'-[1-[(2R)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]-3-methylbiphenyl-4-carboxylic acid, having a calcium-sensing receptor antagonistic action; therapeutic drug for osteoporosis CASR, CALCR, GRK2 CA1 2231/4885CA2 97/4885L3MBTL1 4192/4885

“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.