SCHEMBL18178181

SCHEMBL18178181

CCc1cccc(OC(=O)OC)c1COc1cc(F)c(C)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.36
CD274 Q9NZQ7 4/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
MAPK14 Q16539 3/20 0.35
PDCD1 Q15116 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18178197 0.93 CD274 (0.37) PTGER1CD274MRGPRX4MAPK14PDCD1
SCHEMBL18178187 0.92 PTGER1 (0.35) PTGER1CD274MRGPRX4MAPK14PDCD1
SCHEMBL18182365 0.91 ABCG2 (0.35) PTGER1MAPK14KDM4EALDH1A1TDP1
SCHEMBL18178372 0.91 CD274 (0.38) CD274PDCD1KDM4EALDH1A1TDP1
SCHEMBL18178572 0.90 MRGPRX4 (0.36) PTGER1CD274MRGPRX4MAPK14PDCD1
SCHEMBL18178128 0.90 MRGPRX4 (0.40) PTGER1CD274MRGPRX4KDM4EALDH1A1
SCHEMBL18178178 0.90 MRGPRX4 (0.42) PTGER1MRGPRX4KDM4EALDH1A1HPGD
SCHEMBL18178150 0.90 PTGER1 (0.40) PTGER1MRGPRX4MAPK14KDM4EHPGD
SCHEMBL18178151 0.90 MRGPRX4 (0.37) PTGER1CD274MRGPRX4MAPK14KDM4E
SCHEMBL18178153 0.90 SLC22A12 (0.39) PTGER1CD274MRGPRX4MAPK14KDM4E

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 PTGER1 4234/4885CD274 3579/4885MRGPRX4 167/4885

“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.