SCHEMBL18178914

SCHEMBL18178914

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.42
L3MBTL1 Q9Y468 6/20 0.41
HSP90AA1 P07900 1/20 0.39
UBE2N P61088 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 3/20 0.37
NR1H4 Q96RI1 2/20 0.37
NPC1 O15118 2/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL18178917 0.89 MRGPRX4 (0.44) MRGPRX4L3MBTL1HSP90AA1UBE2NFFAR4
SCHEMBL18156337 0.88 FFAR4 (0.42) MRGPRX4FFAR1FFAR4NR1H4
SCHEMBL18178889 0.88 MRGPRX4 (0.43) MRGPRX4L3MBTL1HSP90AA1UBE2NPTGER1
SCHEMBL18179034 0.88 NPSR1 (0.36) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL18178919 0.87 MRGPRX4 (0.43) MRGPRX4L3MBTL1HSP90AA1UBE2NFFAR4
SCHEMBL18178814 0.86 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSP90AA1UBE2NPTGER1
SCHEMBL18178915 0.86 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSP90AA1UBE2NFFAR4
SCHEMBL18178479 0.86 MRGPRX4 (0.47) MRGPRX4L3MBTL1HSP90AA1UBE2NPTGER1
SCHEMBL18178921 0.86 MRGPRX4 (0.44) MRGPRX4L3MBTL1HSP90AA1UBE2NFFAR1
SCHEMBL18178918 0.86 MRGPRX4 (0.42) MRGPRX4L3MBTL1HSP90AA1UBE2NFFAR4

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 401/4885HSP90AA1 2605/4885

“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.