SCHEMBL4031832

SCHEMBL4031832

N#CCc1cccnc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
ABCB1 P08183 1/20 0.43
SQOR Q9Y6N5 1/20 0.43
MAOB P27338 2/20 0.42
ATP4A P20648 3/20 0.40
ATP4B P51164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5780520 0.80 APLNR (0.44) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL6650607 0.80 LTA4H (0.49) LTA4HMAPK14ABCB1MAOBMEN1
SCHEMBL13443127 0.79 MEN1 (0.50) LTA4HMAPK14ABCB1MEN1CYP3A4
SCHEMBL29723513 0.79 SLC13A5 (0.44) SQORMEN1KMT2AMAPK1NPC1
SCHEMBL3603550 0.79 LTA4H (0.47) LTA4HMAPK14ABCB1ATP4AATP4B
SCHEMBL23498213 0.79 SLC13A5 (0.44) SQORMEN1KMT2AMAPK1NPC1
SCHEMBL4034458 0.78 MAOB (0.51) LTA4HMAPK14SQORMAOBATP4A
SCHEMBL3150720 0.77 HTR1A (0.61) ABCB1MAOBATP4AATP4BMEN1
SCHEMBL13443135 0.74 LTA4H (0.43) LTA4HMAPK14ABCB1ATP4AATP4B
SCHEMBL5401933 0.74 ATP4A (0.45) SQORMAOBATP4AATP4BMEN1

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 LTA4H 282/4885MAPK14 2007/4885ABCB1 2959/4885

“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.