SCHEMBL18178250

SCHEMBL18178250

CCc1cccc(OC(=O)OC)c1COc1cc(Cl)c(C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.39
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL18178252 0.93 MRGPRX4 (0.38) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178247 0.92 MRGPRX4 (0.38) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18181960 0.91 MRGPRX4 (0.41) MRGPRX4LMNAALDH1A1NPSR1MAPT
SCHEMBL18178348 0.91 MRGPRX4 (0.38) MRGPRX4LMNAALDH1A1L3MBTL1MAPT
SCHEMBL18178646 0.90 MRGPRX4 (0.40) MRGPRX4ALDH1A1L3MBTL1MAPTHTT
SCHEMBL18178128 0.90 MRGPRX4 (0.40) MRGPRX4LMNAALDH1A1L3MBTL1MAPT
SCHEMBL18178249 0.90 LMNA (0.39) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178242 0.90 SGMS2 (0.41) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178260 0.90 MRGPRX4 (0.41) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178285 0.90 MRGPRX4 (0.39) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 US 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 MRGPRX4 167/4885LMNA 4171/4885ALDH1A1 3176/4885

“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.