SCHEMBL5114936

SCHEMBL5114936

OCc1cc(COc2ccc(Cl)cc2Cl)cc(OCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.71
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49
XBP1 P17861 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MDM2 Q00987 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGER1 P34995 2/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5105315 0.85 MRGPRX4 (0.64) MRGPRX4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31568468 0.83 MRGPRX4 (1.00) MRGPRX4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22480615 0.83 MRGPRX4 (1.00) MRGPRX4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3271153 0.81 CYP4F2 (0.61) RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL5118921 0.81 MRGPRX4 (0.61) MRGPRX4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7316282 0.80 MRGPRX4 (0.54) MRGPRX4SMN1; SMN2
SCHEMBL3237981 0.80 NPC1 (0.73) MRGPRX4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14601810 0.80 MEN1 (0.61) RAB9ASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL5109504 0.78 MRGPRX4 (0.46) MRGPRX4NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4910012 0.78 MEN1 (0.62) RAB9ASMN1; SMN2MAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 MRGPRX4 826/4885NPC1 2819/4885RAB9A 3734/4885

“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.