SCHEMBL18178937

SCHEMBL18178937

COC(=S)Oc1cccc(CO)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC22A12 Q96S37 1/20 0.33
CD274 Q9NZQ7 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
PDCD1 Q15116 1/20 0.30
ATP4A P20648 1/20 0.30
ATP4B P51164 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
SCHEMBL18178939 0.90 MAPT (0.39) MAPTRAB9ANPSR1SLC22A12HTR1A
SCHEMBL18178943 0.89 MAPT (0.36) MAPTRAB9ANPSR1SLC22A12HTR1A
SCHEMBL18178823 0.88 MRGPRX4 (0.41) MAPTRAB9ACD274HTR1ALMNA
SCHEMBL18179021 0.88 MAPT (0.36) MAPTRAB9ANPSR1SLC22A12CD274
SCHEMBL18178938 0.87 SLC22A12 (0.41) MAPTRAB9ANPSR1SLC22A12HTR1A
SCHEMBL18178972 0.87 MAPT (0.36) MAPTRAB9ANPSR1SLC22A12CD274
SCHEMBL18179042 0.85 MAPT (0.34) MAPTRAB9ANPSR1SLC22A12CD274
SCHEMBL18178380 0.85 MAPT (0.42) MAPTRAB9ANPSR1SLC22A12CD274
SCHEMBL18182646 0.84 SLC22A12 (0.35) MAPTRAB9ANPSR1SLC22A12HTR1A
SCHEMBL18178940 0.84 MAPT (0.38) MAPTRAB9ANPSR1SLC22A12LMNA

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.