SCHEMBL4034916

SCHEMBL4034916

COC(=O)Cc1cc(OC)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
EGFR P00533 2/20 0.55
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.50
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ANO1 Q5XXA6 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL30336005 0.86 POLB (0.64) MTNR1AMTNR1BEGFRALDH1A1KDM4E
SCHEMBL6035480 0.86 POLB (0.64) MTNR1AMTNR1BEGFRALDH1A1KDM4E
SCHEMBL4081034 0.86 MTNR1A (0.55) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL21437884 0.85 EGFR (0.54) MTNR1AMTNR1BEGFRCA1CA2
SCHEMBL4031766 0.85 EGFR (0.51) MTNR1AMTNR1BEGFRALDH1A1KDM4E
SCHEMBL6035932 0.84 HSD17B10 (0.70) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL8772666 0.84 MTNR1A (0.57) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL21437958 0.84 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL8402260 0.83 EGFR (0.49) MTNR1AMTNR1BEGFRCA1CA2
SCHEMBL30104106 0.83 HSD17B10 (0.73) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK MTNR1A 1045/4885MTNR1B 835/4885EGFR 1574/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 MTNR1A 1225/4885MTNR1B 1038/4885EGFR 4291/4885

“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.