SCHEMBL5111208

SCHEMBL5111208

CC(C)n1nc(OCc2ccccc2)cc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
HTR2C P28335 4/20 0.39
SLC6A4 P31645 4/20 0.39
HTR2A P28223 3/20 0.39
SRC P12931 2/20 0.38
ABL1 P00519 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALKBH1 Q13686 1/20 0.38
NUDT1 P36639 1/20 0.37
ACACB O00763 1/20 0.37
RHEB Q15382 1/20 0.37
GLRA1 P23415 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1267722 0.81 PKM (0.46) PKMALDH1A1LMNAHPGDTSHR
SCHEMBL6035812 0.81 PKM (0.56) PKMALDH1A1ALKBH1NUDT1RHEB
SCHEMBL5119993 0.79 GPBAR1 (0.49)
SCHEMBL4850371 0.77 MDM2 (0.44) PKMALDH1A1LMNAHTTALKBH1
SCHEMBL5114932 0.77 PKM (0.45) PKMALDH1A1LMNAHPGDTSHR
SCHEMBL5112110 0.76 HPGD (0.47) PKMALDH1A1LMNAHPGDTSHR
SCHEMBL5112315 0.75 HTR2C (0.52) ALDH1A1LMNAHPGDTSHRMAPK1
SCHEMBL5110036 0.75 KDM4E (0.46) PKMALDH1A1LMNA
SCHEMBL5110040 0.75 KDM4E (0.46) PKMALDH1A1LMNA
SCHEMBL1267330 0.73 NPSR1 (0.44) PKMALDH1A1LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PKM 2082/4885ALDH1A1 1442/4885LMNA 1816/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PKM 3398/4885ALDH1A1 1527/4885LMNA 3761/4885

“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.