SCHEMBL18178057

SCHEMBL18178057

COC(=O)Oc1cccc(I)c1COc1ccc(C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.49
PTGS2 P35354 1/20 0.38
FFAR1 O14842 4/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL18178045 0.90 MRGPRX4 (0.52) MRGPRX4FFAR1LMNAHTTALDH1A1
SCHEMBL18178442 0.89 MRGPRX4 (0.49) MRGPRX4PTGS2FFAR1LMNAHTT
SCHEMBL18178070 0.88 MRGPRX4 (0.47) MRGPRX4LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL18178043 0.88 MRGPRX4 (0.51) MRGPRX4FFAR1LMNAHTTHPGD
SCHEMBL18178340 0.87 MRGPRX4 (0.38) MRGPRX4LMNAHTTHPGDALDH1A1
SCHEMBL18182738 0.87 LMNA (0.42) MRGPRX4FFAR1LMNAHTTHPGD
SCHEMBL18178154 0.87 MRGPRX4 (0.35) MRGPRX4PTGS2LMNAHTTHPGD
SCHEMBL18178119 0.86 MRGPRX4 (0.49) MRGPRX4HTTHPGDALDH1A1SMN1; SMN2
SCHEMBL18178114 0.86 MRGPRX4 (0.49) MRGPRX4FFAR1LMNAHTTHPGD
SCHEMBL18178051 0.86 MRGPRX4 (0.49) MRGPRX4FFAR1ALDH1A1SMN1; SMN2MAPT

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 167/4885PTGS2 4649/4885FFAR1 2736/4885

“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.