SCHEMBL4034756

SCHEMBL4034756

Cc1oc(-c2ccco2)nc1COc1ccc(COc2ncccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 11/20 0.43
HPGD P15428 11/20 0.43
HSD17B10 Q99714 11/20 0.43
MAPT P10636 8/20 0.43
GAA P10253 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
FFAR1 O14842 1/20 0.40
TSHR P16473 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 7/20 0.39
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL4035434 0.87 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4029301 0.86 PPARG (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4035258 0.86 FFAR1 (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4031542 0.84 FFAR1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4030719 0.83 FFAR1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4037200 0.83 FFAR1 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4846895 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4042286 0.81 FFAR1 (0.48) MAPTFFAR1PPARGTP53PPARA
SCHEMBL6960613 0.78 FFAR1 (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4033057 0.78 FFAR1 (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT

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 KDM4E 570/4885ALDH1A1 176/4885HPGD 1893/4885

“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.