SCHEMBL18178176

SCHEMBL18178176

COC(=O)Oc1cccc(Br)c1COc1cc(F)c(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.42
SLC22A12 Q96S37 1/20 0.36
PTGER1 P34995 3/20 0.36
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL18178137 0.93 MRGPRX4 (0.40) MRGPRX4SLC22A12PTGER1MAPTRAB9A
SCHEMBL18178151 0.93 MRGPRX4 (0.37) MRGPRX4SLC22A12PTGER1MAPTRAB9A
SCHEMBL18178377 0.91 MAPT (0.43) MRGPRX4SLC22A12MAPTRAB9ALMNA
SCHEMBL18156302 0.90 MRGPRX4 (0.40) MRGPRX4SLC22A12PTGER1FFAR4MAPK14
SCHEMBL18178148 0.90 MRGPRX4 (0.35) MRGPRX4PTGER1MAPTLMNAMEN1
SCHEMBL18178188 0.90 PTGER1 (0.36) MRGPRX4SLC22A12PTGER1MAPTRAB9A
SCHEMBL18178172 0.90 MRGPRX4 (0.44) MRGPRX4SLC22A12PTGER1MAPTRAB9A
SCHEMBL18178175 0.90 MRGPRX4 (0.44) MRGPRX4SLC22A12PTGER1MAPTRAB9A
SCHEMBL18178201 0.89 MRGPRX4 (0.35) MRGPRX4SLC22A12PTGER1MAPTRAB9A
SCHEMBL18178577 0.89 MRGPRX4 (0.42) MRGPRX4SLC22A12PTGER1MAPTRAB9A

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 167/4885SLC22A12 4500/4885PTGER1 4234/4885

“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.