SCHEMBL18179034

SCHEMBL18179034

CCC(=S)Oc1cccc(Cl)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
BDKRB2 P30411 1/20 0.35
MET P08581 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MPO P05164 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL18182638 0.91 PTGER1 (0.35) NPSR1ALDH1A1POLBGAAMRGPRX4
SCHEMBL18179043 0.88 SLC22A12 (0.41) NPSR1ALDH1A1GAAMRGPRX4MAPT
SCHEMBL18178914 0.88 MRGPRX4 (0.42) GAAMRGPRX4MAPTRAB9ANR1H4
SCHEMBL18179010 0.87 NPSR1 (0.37) NPSR1ALDH1A1POLBGAAMRGPRX4
SCHEMBL18179040 0.86 ALDH1A1 (0.36) NPSR1ALDH1A1POLBGAAMRGPRX4
SCHEMBL18156337 0.86 FFAR4 (0.42) MRGPRX4NR1H4SLC22A12FFAR1FFAR4
SCHEMBL18156474 0.85 PTGER1 (0.34) MRGPRX4METNR1H4SLC22A12PTGER1
SCHEMBL18179038 0.85 MAPT (0.35) NPSR1ALDH1A1GAAMRGPRX4MAPT
SCHEMBL18179041 0.85 MAPT (0.38) NPSR1ALDH1A1MRGPRX4MAPTRAB9A
SCHEMBL18179032 0.85 MRGPRX4 (0.38) NPSR1ALDH1A1MRGPRX4MAPTRAB9A

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 NPSR1 930/4885ALDH1A1 3176/4885POLB 3778/4885

“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.