SCHEMBL4034804

SCHEMBL4034804

Cc1oc(-c2ccco2)nc1COc1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
ALDH1A1 P00352 12/20 0.41
KDM4E B2RXH2 12/20 0.41
HPGD P15428 11/20 0.41
HSD17B10 Q99714 10/20 0.41
GAA P10253 7/20 0.41
MAPT P10636 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 3/20 0.39
TSHR P16473 4/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4035664 0.81 KDR (0.45) ALDH1A1PPARGPPARADRD2HTR2A
SCHEMBL4853344 0.81 PPARG (0.43) ALDH1A1PPARGPPARADRD2HTR2A
SCHEMBL4030472 0.81 PPARG (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8859183 0.78 PPARG (0.52) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL6960613 0.74 FFAR1 (0.48) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4034983 0.73 KDR (0.53) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4033057 0.73 FFAR1 (0.48) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8132645 0.72 PPARG (0.48) PPARGPPARA
SCHEMBL4033219 0.72 PPARG (0.43) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4034756 0.72 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10GAA

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 7 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-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 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-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP 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 GABRA5 969/4885ALDH1A1 176/4885KDM4E 570/4885
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 GABRA5 270/4885ALDH1A1 134/4885KDM4E 1421/4885

“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.