SCHEMBL4031798

SCHEMBL4031798

O=C(O)Cc1ccccc1OCc1ccc(OCc2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 1/20 0.49
CFD P00746 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
F11 P03951 1/20 0.48
KLKB1 P03952 1/20 0.48
F7 P08709 1/20 0.48
TPSB2 P20231 1/20 0.48
PPARA Q07869 1/20 0.47
SCN9A Q15858 6/20 0.47
KCNH2 Q12809 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
PTGER1 P34995 2/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 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
SCHEMBL9428441 0.84 KDM4E (0.58) ALDH1A1KDM4EGAAHPGDPPARA
SCHEMBL4030984 0.79 L3MBTL1 (0.47) CFDPLGPLAUF11KLKB1
SCHEMBL6527094 0.78 RAB9A (0.62) ALDH1A1KDM4EGAAPPARARAB9A
SCHEMBL4039765 0.78 CYSLTR1 (0.53) ALDH1A1KDM4EGAAHPGDPPARA
SCHEMBL19509921 0.76 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHPGDPPARA
SCHEMBL9428747 0.76 ALOX5 (0.60) ALDH1A1KDM4EGAAHPGDPPARA
SCHEMBL19475521 0.76 RAB9A (0.49) ALDH1A1KDM4EGAAHPGDPPARA
SCHEMBL4034509 0.75 RAB9A (0.56) ALDH1A1KDM4EGAAPPARASCN9A
SCHEMBL9257856 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHPGDPPARA
SCHEMBL1007508 0.74 CFD (0.68) ALDH1A1KDM4EGAAHPGDCFD

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 ALDH1A1 176/4885KDM4E 570/4885GAA 1003/4885

“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.