SCHEMBL18178446

SCHEMBL18178446

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.50
MRGPRX1 Q96LB2 3/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
FFAR1 O14842 5/20 0.37
PPARD Q03181 3/20 0.37
MAPT P10636 3/20 0.37
KCNMA1 Q12791 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
STING1 Q86WV6 1/20 0.36
HRH1 P35367 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
SCHEMBL18178443 0.91 MRGPRX4 (0.52) MRGPRX4FFAR1
SCHEMBL18178052 0.90 MRGPRX4 (0.49) MRGPRX4MRGPRX1PTGS1PTGS2FFAR1
SCHEMBL18178444 0.89 MRGPRX4 (0.51) MRGPRX4FFAR1MAPTL3MBTL1RAB9A
SCHEMBL18178445 0.88 MRGPRX4 (0.50) MRGPRX4FFAR1MAPTL3MBTL1HPGD
SCHEMBL18178484 0.88 MRGPRX4 (0.48) MRGPRX4FFAR1MAPTKCNMA1L3MBTL1
SCHEMBL18182418 0.87 LMNA (0.41) MRGPRX4PTGS1PTGS2FFAR1PPARD
SCHEMBL18178440 0.87 MRGPRX4 (0.49) MRGPRX4FFAR1MAPTRAB9A
SCHEMBL18178447 0.87 MRGPRX4 (0.49) MRGPRX4FFAR1MAPTL3MBTL1RAB9A
SCHEMBL18178442 0.87 MRGPRX4 (0.49) MRGPRX4MRGPRX1PTGS2FFAR1
SCHEMBL18178508 0.87 MRGPRX4 (0.37) MRGPRX4MRGPRX1PTGS1PTGS2MAPT

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 359/4885PTGS1 4413/4885

“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.