SCHEMBL18178447

SCHEMBL18178447

CCC(=O)Oc1cccc(Br)c1COc1ccc(C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
PTGFR P43088 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
PTGER1 P34995 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR1 O14842 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK14 Q16539 2/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL18178443 0.90 MRGPRX4 (0.52) MRGPRX4PTGER1FFAR1ALOX15ACHE
SCHEMBL18178468 0.90 TDP1 (0.46) ABL1RIN1MAPTHPGDL3MBTL1
SCHEMBL18178114 0.89 MRGPRX4 (0.49) MRGPRX4ABL1RIN1PTGFRMAPT
SCHEMBL18178444 0.88 MRGPRX4 (0.51) MRGPRX4MAPTHPGDL3MBTL1TDP1
SCHEMBL18178472 0.88 MRGPRX4 (0.47) MRGPRX4ABL1RIN1MAPTHPGD
SCHEMBL18156420 0.88 LMNA (0.40) MRGPRX4MAPTHPGDNPC1RAB9A
SCHEMBL18178693 0.87 MRGPRX4 (0.38) MRGPRX4PTGFRMAPTHPGDPTGER1
SCHEMBL18178445 0.87 MRGPRX4 (0.50) MRGPRX4MAPTHPGDL3MBTL1PTGER1
SCHEMBL18178491 0.87 FFAR4 (0.39) MRGPRX4ABL1RIN1MAPTHPGD
SCHEMBL18178446 0.87 MRGPRX4 (0.50) MRGPRX4MAPTHPGDL3MBTL1TDP1

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 167/4885ABL1 2644/4885RIN1 619/4885

“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.