SCHEMBL18178889

SCHEMBL18178889

CC(=S)Oc1cccc(Cl)c1COc1ccc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.43
L3MBTL1 Q9Y468 6/20 0.43
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 4/20 0.39
NPC1 O15118 3/20 0.39
HSP90AA1 P07900 1/20 0.38
UBE2N P61088 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL18178900 0.88 MRGPRX4 (0.46) MRGPRX4L3MBTL1FFAR4MAPTRAB9A
SCHEMBL18178914 0.88 MRGPRX4 (0.42) MRGPRX4L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL18178814 0.88 MRGPRX4 (0.42) MRGPRX4L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL18178869 0.88 MRGPRX4 (0.49) MRGPRX4L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL18179010 0.87 NPSR1 (0.37) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL18156519 0.87 FFAR4 (0.42) MRGPRX4FFAR4FFAR1NR1H4
SCHEMBL18178847 0.87 MRGPRX4 (0.41) MRGPRX4L3MBTL1PTGER1PTGER4PTGER3
SCHEMBL18178891 0.85 MRGPRX4 (0.43) MRGPRX4L3MBTL1PTGER1FFAR4MAPT
SCHEMBL18178901 0.85 MRGPRX4 (0.43) MRGPRX4L3MBTL1FFAR4MAPTRAB9A
SCHEMBL18178893 0.85 MRGPRX4 (0.43) MRGPRX4L3MBTL1FFAR4MAPTRAB9A

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 167/4885L3MBTL1 401/4885PTGER1 4234/4885

“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.