SCHEMBL18179038

SCHEMBL18179038

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
ATM Q13315 1/20 0.31
MRGPRX4 Q96LA9 3/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
STAT3 P40763 1/20 0.30
STAT1 P42224 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18182673 0.91 FFAR4 (0.35) MAPTRAB9ANPSR1SLC22A12FFAR4
SCHEMBL18179043 0.88 SLC22A12 (0.41) MAPTRAB9ANPSR1SLC22A12MRGPRX4
SCHEMBL18178915 0.88 MRGPRX4 (0.42) MAPTRAB9AFFAR4MRGPRX4MEN1
SCHEMBL18179018 0.87 MAPT (0.36) MAPTRAB9ANPSR1SLC22A12FFAR4
SCHEMBL18179040 0.86 ALDH1A1 (0.36) MAPTRAB9ANPSR1SLC22A12MRGPRX4
SCHEMBL18156178 0.86 FFAR4 (0.42) MAPTRAB9ASLC22A12FFAR4MRGPRX4
SCHEMBL18179034 0.85 NPSR1 (0.36) MAPTRAB9ANPSR1SLC22A12FFAR4
SCHEMBL18179041 0.85 MAPT (0.38) MAPTRAB9ANPSR1SLC22A12FFAR4
SCHEMBL18179032 0.85 MRGPRX4 (0.38) MAPTRAB9ANPSR1SLC22A12MRGPRX4
SCHEMBL18178754 0.85 MAPT (0.40) MAPTRAB9ANPSR1SLC22A12FFAR4

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 MAPT 4572/4885RAB9A 1136/4885NPSR1 930/4885

“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.