SCHEMBL4030449

SCHEMBL4030449

COc1cc(COc2ncccc2CO)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
FFAR1 O14842 1/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.44
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 2/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 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
SCHEMBL4032386 0.91 FFAR1 (0.49) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4030201 0.89 LMNA (0.44) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4038141 0.86 KDR (0.67) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4845504 0.85 KDR (0.48) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4032658 0.85 FFAR1 (0.59) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4038108 0.85 MAPT (0.45) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4029510 0.85 LMNA (0.46) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4851310 0.84 KDR (0.49) KDRFFAR1KDM4EALDH1A1TSHR
SCHEMBL4852793 0.83 KDR (0.49) KDRFFAR1KDM4EUSP2ALDH1A1
SCHEMBL4031108 0.83 KDR (0.51) KDRFFAR1PPARGPPARA

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 4 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US 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 (1 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 KDR 1328/4885FFAR1 4/4885KDM4E 570/4885

“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.