SCHEMBL1556958

SCHEMBL1556958

COC(=O)c1ccc(Oc2ccccc2CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
CYP4A11 Q02928 3/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 2/20 0.47
CYP4F2 P78329 2/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
TSHR P16473 1/20 0.46
HRH1 P35367 1/20 0.43
TSPO P30536 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL18609600 0.84 LOXL2 (0.53) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL25267667 0.84 MAPT (0.51) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL1191400 0.84 MAPT (0.51) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7776446 0.83 MAPT (0.51) MAPTRAB9ASMN1; SMN2CYP4A11CA1
SCHEMBL11411879 0.83 CA1 (0.62) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7774979 0.83 MAPT (0.66) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL9242685 0.80 RAB9A (0.65) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL28326055 0.79 SLC6A4 (0.61) L3MBTL1LMNAHRH1ALDH1A1KMT2A
SCHEMBL1067253 0.78 HRH1 (0.67) TDP1TSHRHRH1ALDH1A1SLC6A2
SCHEMBL7775036 0.77 MAPT (0.45) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2

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
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
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-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 MAPT 2250/4885RAB9A 611/4885TDP1 4634/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL MAPT 2250/4885RAB9A 611/4885TDP1 4634/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL MAPT 2250/4885RAB9A 611/4885TDP1 4634/4885
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 MAPT 3179/4885RAB9A 907/4885TDP1 4554/4885

“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.