SCHEMBL4029424

SCHEMBL4029424

COC(=O)Cc1ccc(OCc2ccc(C(C)Nc3nc(-c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACACB O00763 1/20 0.46
ELOVL1 Q9BW60 1/20 0.46
ROCK1 Q13464 4/20 0.46
ROCK2 O75116 4/20 0.46
ADORA3 P0DMS8 1/20 0.45
WNT3A P56704 1/20 0.44
RORC P51449 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4038366 0.93 MAPT (0.53) APPMAPTALDH1A1MEN1KMT2A
SCHEMBL4034136 0.78 MAPT (0.60) APPMAPTALDH1A1MEN1KMT2A
SCHEMBL4029428 0.77 KMT2A (0.51) APPMAPTALDH1A1MEN1KMT2A
SCHEMBL4038203 0.77 MAPT (0.62) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4029432 0.77 APP (0.48) APPALDH1A1ELOVL1ROCK2ADORA3
SCHEMBL1745242 0.76 MAPT (0.52) APPMAPTALDH1A1MEN1KMT2A
SCHEMBL7236732 0.75 FFAR1 (0.61) ALDH1A1NPC1RAB9A
SCHEMBL11385164 0.75 MEN1 (0.70) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL392863 0.73 ALOX5 (0.66) ALDH1A1NPC1RAB9A
SCHEMBL13200859 0.71 ELOVL1 (0.67) APPMAPTALDH1A1MEN1KMT2A

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 APP 1722/4885MAPT 4719/4885ALDH1A1 176/4885

“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.