SCHEMBL18178052

SCHEMBL18178052

CCOc1cccc(OC(=O)OC)c1COc1ccc(C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
MRGPRX1 Q96LB2 3/20 0.40
KCNMA1 Q12791 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNK3 O14649 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
HRH1 P35367 1/20 0.37
FFAR1 O14842 2/20 0.37
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
KCNB1 Q14721 1/20 0.37
TNFRSF1A P19438 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PPARD Q03181 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL18178446 0.90 MRGPRX4 (0.50) MRGPRX4MRGPRX1KCNMA1KCNQ3KCNQ2
SCHEMBL18178045 0.90 MRGPRX4 (0.52) MRGPRX4FFAR1ALDH1A1MEN1LMNA
SCHEMBL18178117 0.89 MRGPRX4 (0.49) MRGPRX4SMN1; SMN2FFAR1ALDH1A1POLB
SCHEMBL18178071 0.88 MRGPRX4 (0.47) MRGPRX4KCNMA1SMN1; SMN2KCNK3KCNK9
SCHEMBL18178043 0.88 MRGPRX4 (0.51) MRGPRX4SMN1; SMN2FFAR1ALDH1A1LMNA
SCHEMBL18182453 0.88 LMNA (0.42) MRGPRX4KCNQ3KCNQ2PTGS1PTGS2
SCHEMBL18178082 0.88 KCNMA1 (0.38) MRGPRX4MRGPRX1KCNMA1SMN1; SMN2KCNK3
SCHEMBL18178109 0.87 L3MBTL1 (0.41) MRGPRX4KCNMA1KCNK3KCNK9KCNA5
SCHEMBL18178350 0.87 PTGS1 (0.38) MRGPRX4PTGS1PTGS2KCNK3KCNK9
SCHEMBL18178114 0.86 MRGPRX4 (0.49) MRGPRX4SMN1; SMN2FFAR1ALDH1A1POLB

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 167/4885MRGPRX1 359/4885KCNMA1 1196/4885

“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.