SCHEMBL5111929

SCHEMBL5111929

CCOC(=O)CCc1cc(O)nn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 4/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL5119177 0.81 ALDH1A1 (0.49) KMT2AMEN1LMNACYP4F2CYP4A11
SCHEMBL5108956 0.79 LMNA (0.48) KMT2AMEN1HPGDTSHRLMNA
SCHEMBL23401034 0.78 USP2 (0.51) TSHRLMNAALDH1A1GAA
SCHEMBL5120004 0.78 CYP4F2 (0.42) KMT2AMEN1HPGDTSHRLMNA
SCHEMBL23403068 0.77 LMNA (0.48) TSHRPDE4DLMNAALDH1A1GAA
SCHEMBL4843945 0.76 PDE4D (0.39) KMT2AHPGDTP53TSHRPDE4D
SCHEMBL23401114 0.76 CNR1 (0.48) TSHRLMNAALDH1A1
SCHEMBL5106638 0.76 CYP4F2 (0.40) KMT2AMEN1HPGDTSHRLMNA
SCHEMBL5294292 0.76 LMNA (0.53) KMT2AHPGDTSHRPDE4DLMNA
SCHEMBL5120409 0.74 CYP4F2 (0.38) KMT2AMEN1HPGDTSHRLMNA

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-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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US 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
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP 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 (3 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 KMT2A 1788/4885MEN1 1753/4885HPGD 1254/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 KMT2A 1706/4885MEN1 2048/4885HPGD 3297/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 KMT2A 2478/4885MEN1 4517/4885HPGD 4473/4885

“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.