SCHEMBL4034898

SCHEMBL4034898

CCOc1ccc(OCc2ccccc2)c(CC(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 3/20 0.53
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL20954694 0.90 MTNR1A (0.48) MTNR1AMTNR1BLTB4RLTB4R2SMN1; SMN2
SCHEMBL5446276 0.83 L3MBTL1 (0.53) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL13760599 0.83 ALDH1A1 (0.51) LTB4RLTB4R2SMN1; SMN2NPC1RAB9A
SCHEMBL15820919 0.82 CCR5 (0.60) LMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL547302 0.82 CCR5 (0.54) LMNARAB9AALDH1A1
SCHEMBL9774023 0.82 ALDH1A1 (0.55) MTNR1AMTNR1BLTB4RLTB4R2ALDH1A1
SCHEMBL31757763 0.81 L3MBTL1 (0.56) MTNR1AMTNR1BKDM4ELMNAHPGD
SCHEMBL2988197 0.81 L3MBTL1 (0.56) MTNR1AMTNR1BKDM4ELMNAHPGD
SCHEMBL7544860 0.81 MAOB (0.52) MTNR1AMTNR1BKDM4ELMNASMN1; SMN2
SCHEMBL20954703 0.81 MEN1 (0.51) MTNR1AMTNR1BKDM4ELMNANPC1

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 MTNR1A 1045/4885MTNR1B 835/4885LTB4R 321/4885

“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.