SCHEMBL4034974

SCHEMBL4034974

CCCc1ccc(OCOC)c(CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.42
GABRB2 P47870 5/20 0.42
ALOX5 P09917 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL8228456 0.85 GABRA1 (0.50) GABRA1GABRB2ALOX5NPC1RAB9A
SCHEMBL1390773 0.84 CALM1 (0.42) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL1390903 0.84 TUBB4A (0.45) MEN1KMT2AABCB1
SCHEMBL8228434 0.83 GABRA1 (0.56) GABRA1GABRB2ALOX5NPC1RAB9A
SCHEMBL348569 0.79 NPC1 (0.37) NPC1RAB9ASMN1; SMN2POLBHTT
SCHEMBL14586637 0.79 ATM (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL2128468 0.78 GABRA1 (0.38) GABRA1GABRB2ALOX5NPC1RAB9A
SCHEMBL8476991 0.77 FFAR4 (0.33) FFAR4
SCHEMBL17551834 0.76 MAPT (0.59) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL8712221 0.76 PTGDR2 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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 GABRA1 509/4885GABRB2 1202/4885ALOX5 35/4885

“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.