SCHEMBL4030201

SCHEMBL4030201

COc1cc(COc2ncccc2CC#N)ccc1OCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDR P35968 1/20 0.42
FFAR1 O14842 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
THRB P10828 2/20 0.39
ABCB1 P08183 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TP53 P04637 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4030449 0.89 KDR (0.51) LMNATSHRKDM4EUSP2ALDH1A1
SCHEMBL4029510 0.88 LMNA (0.46) LMNATSHRKDM4EUSP2ALDH1A1
SCHEMBL4032386 0.86 FFAR1 (0.49) LMNATSHRKDM4EUSP2ALDH1A1
SCHEMBL4030808 0.86 FFAR1 (0.54) LMNAKDM4EALDH1A1HSD17B10KDR
SCHEMBL4848728 0.85 PPARG (0.43) LMNATSHRKDM4EUSP2ALDH1A1
SCHEMBL4035072 0.83 PPARG (0.45) KDRFFAR1PPARGPPARA
SCHEMBL4038108 0.83 MAPT (0.45) LMNATSHRKDM4EUSP2ALDH1A1
SCHEMBL4034022 0.80 KDR (0.42) KDM4EKDRFFAR1MAPTPPARG
SCHEMBL4030120 0.79 FFAR1 (0.44) LMNAKDM4EALDH1A1HSD17B10KDR
SCHEMBL4033764 0.78 FFAR1 (0.53) KDM4EKDRFFAR1MAPTPPARG

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 LMNA 1867/4885TSHR 2334/4885KDM4E 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.