SCHEMBL18178564

SCHEMBL18178564

CCC(=O)Oc1cccc(C)c1COc1cc(F)c(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.37
ACHE P22303 1/20 0.36
PTGER1 P34995 2/20 0.36
ACLY P53396 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 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
SCHEMBL18178566 0.93 PTGER1 (0.38) SLC22A12MRGPRX4ACHEPTGER1ACLY
SCHEMBL18178562 0.93 MRGPRX4 (0.37) SLC22A12MRGPRX4ACHEPTGER1ACLY
SCHEMBL18181977 0.91 MAPK14 (0.37) SLC22A12MRGPRX4ACHEPTGER1ACLY
SCHEMBL18178569 0.91 PTGS1 (0.36) MRGPRX4ACHEACLYMAPK14KDM4E
SCHEMBL18178572 0.91 MRGPRX4 (0.36) SLC22A12MRGPRX4ACHEPTGER1ACLY
SCHEMBL18178740 0.91 SLC22A12 (0.41) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178563 0.90 MRGPRX4 (0.35) SLC22A12MRGPRX4ACHEPTGER1ACLY
SCHEMBL18178568 0.90 PTGER1 (0.38) MRGPRX4PTGER1MAPK14ALDH1A1SGMS2
SCHEMBL18178578 0.90 MRGPRX4 (0.44) SLC22A12MRGPRX4ACHEACLYKDM4E
SCHEMBL18178541 0.90 MRGPRX4 (0.42) SLC22A12MRGPRX4ACHEACLYKDM4E

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 SLC22A12 4500/4885MRGPRX4 167/4885ACHE 460/4885

“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.