SCHEMBL18178213

SCHEMBL18178213

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.37
PTGER1 P34995 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOTUM Q6P988 1/20 0.34
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
PPARD Q03181 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18178407 0.93 MRGPRX4 (0.39) MRGPRX4PTGER1L3MBTL1NOTUMFFAR1
SCHEMBL18178214 0.91 MRGPRX4 (0.39) MRGPRX4PTGER1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL18178215 0.91 MRGPRX4 (0.39) MRGPRX4PTGER1L3MBTL1GUCY1B2GUCY1A2
SCHEMBL18178601 0.90 MRGPRX4 (0.37) MRGPRX4PTGER1L3MBTL1GUCY1B2GUCY1A2
SCHEMBL18178312 0.89 MRGPRX4 (0.40) MRGPRX4L3MBTL1
SCHEMBL18182761 0.89 MRGPRX4 (0.36) MRGPRX4PTGER1L3MBTL1NOTUMMAPK14
SCHEMBL18178151 0.88 MRGPRX4 (0.37) MRGPRX4PTGER1L3MBTL1GUCY1B2GUCY1A2
SCHEMBL18178137 0.88 MRGPRX4 (0.40) MRGPRX4PTGER1L3MBTL1GUCY1B2GUCY1A2
SCHEMBL18178176 0.88 MRGPRX4 (0.42) MRGPRX4PTGER1L3MBTL1GUCY1B2GUCY1A2
SCHEMBL18178221 0.88 KCNK3 (0.40) MRGPRX4FFAR1FFAR4

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 167/4885PTGER1 4234/4885L3MBTL1 401/4885

“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.