SCHEMBL4010306

SCHEMBL4010306

CC1(C)CC(=O)c2cc(B(O)O)ccc2O1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
KDM4E B2RXH2 16/20 0.54
ALDH1A1 P00352 13/20 0.54
GAA P10253 9/20 0.53
HPGD P15428 7/20 0.53
GLA P06280 5/20 0.53
CASP1 P29466 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.46
ATM Q13315 2/20 0.45
RAD52 P43351 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL3015837 0.80 MAPT (0.52) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1371172 0.78 MAPT (0.41) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6559503 0.77 MAPT (0.63) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL3353464 0.77 MAPT (0.68) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL2317692 0.76 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL69403 0.76 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1821389 0.76 MAPT (0.71) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL4260350 0.76 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL11904084 0.76 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL7957662 0.76 MAPT (0.67) MAPTKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-29 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 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 (6 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-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 MAPT 4571/4885KDM4E 4304/4885ALDH1A1 1979/4885
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 MAPT 4571/4885KDM4E 4304/4885ALDH1A1 1979/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 MAPT 3015/4885KDM4E 4632/4885ALDH1A1 856/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S MAPT 4434/4885KDM4E 4463/4885ALDH1A1 1982/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 MAPT 4571/4885KDM4E 4304/4885ALDH1A1 1979/4885
US-20100105709-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 MAPT 4571/4885KDM4E 4304/4885ALDH1A1 1979/4885

“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.