SCHEMBL1556773

SCHEMBL1556773

COC(=O)c1ccc(Oc2ccccc2C(C)OC[C@H]2CO2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ROCK2 O75116 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
TTR P02766 1/20 0.38
TSHR P16473 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1556778 1.00 MAPT (0.42) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL1555441 0.85 TDP1 (0.43) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL1555444 0.85 TDP1 (0.43) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL14047237 0.83 ALDH1A1 (0.40) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13599411 0.82 TTR (0.47) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4609577 0.80 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL4609570 0.80 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL4609623 0.80 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL1556369 0.78 MAPT (0.54) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11591618 0.77 MAPT (0.55) MAPTKMT2AALDH1A1LMNAKDM4E

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 14 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
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 MAPT 2250/4885KMT2A 3327/4885ALDH1A1 3748/4885
US-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL MAPT 2250/4885KMT2A 3327/4885ALDH1A1 3748/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL MAPT 2250/4885KMT2A 3327/4885ALDH1A1 3748/4885
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 3179/4885KMT2A 2247/4885ALDH1A1 3241/4885

“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.