SCHEMBL18178043

SCHEMBL18178043

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.51
SLC22A12 Q96S37 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.37
PTGER1 P34995 1/20 0.37
SGMS2 Q8NHU3 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
SCHEMBL18178045 0.92 MRGPRX4 (0.52) MRGPRX4ALDH1A1MAPTFFAR1LMNA
SCHEMBL18178126 0.89 MRGPRX4 (0.50) MRGPRX4SLC22A12L3MBTL1ALDH1A1MAPT
SCHEMBL18178057 0.88 MRGPRX4 (0.49) MRGPRX4ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL18178051 0.88 MRGPRX4 (0.49) MRGPRX4ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL18178114 0.88 MRGPRX4 (0.49) MRGPRX4L3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL18178117 0.88 MRGPRX4 (0.49) MRGPRX4L3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL18178052 0.88 MRGPRX4 (0.49) MRGPRX4ALDH1A1MAPTSMN1; SMN2FFAR1
SCHEMBL18178444 0.88 MRGPRX4 (0.51) MRGPRX4SLC22A12L3MBTL1ALDH1A1MAPK1
SCHEMBL18178344 0.88 SLC22A12 (0.41) MRGPRX4SLC22A12L3MBTL1ALDH1A1MAPK1
SCHEMBL18156161 0.87 LMNA (0.43) MRGPRX4SLC22A12L3MBTL1ALDH1A1MAPK1

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 167/4885SLC22A12 4500/4885L3MBTL1 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.