SCHEMBL18178259

SCHEMBL18178259

COC(=O)Oc1cccc(CO)c1COc1cc(Cl)c(C)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.40
LMNA P02545 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CD274 Q9NZQ7 5/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDCD1 Q15116 1/20 0.36
AKR1C3 P42330 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL18178360 0.94 FABP4 (0.39) MRGPRX4FABP4FABP5CD274PDCD1
SCHEMBL18178280 0.93 LMNA (0.38) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178260 0.92 MRGPRX4 (0.41) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178296 0.91 MRGPRX4 (0.37) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178252 0.90 MRGPRX4 (0.38) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178270 0.90 CD274 (0.37) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178139 0.90 MRGPRX4 (0.38) MRGPRX4GAAFABP4FABP5KDM4E
SCHEMBL18178265 0.90 MRGPRX4 (0.39) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178691 0.89 MRGPRX4 (0.40) MRGPRX4LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL18178307 0.89 FABP4 (0.37) 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.