SCHEMBL18178940

SCHEMBL18178940

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC22A12 Q96S37 1/20 0.34
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MRGPRX4 Q96LA9 3/20 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
SCHEMBL18182647 0.90 SLC22A12 (0.33) MAPTRAB9ANPSR1SLC22A12LMNA
SCHEMBL18178938 0.88 SLC22A12 (0.41) MAPTRAB9ANPSR1SLC22A12LMNA
SCHEMBL18178815 0.88 MRGPRX4 (0.42) MAPTRAB9ALMNAL3MBTL1ALDH1A1
SCHEMBL18179015 0.87 MAPT (0.36) MAPTRAB9ANPSR1SLC22A12MRGPRX4
SCHEMBL18178970 0.86 MAPT (0.37) MAPTRAB9ANPSR1SLC22A12LMNA
SCHEMBL18178376 0.85 MAPT (0.43) MAPTRAB9ANPSR1SLC22A12LMNA
SCHEMBL18178933 0.85 MRGPRX4 (0.38) MAPTRAB9ANPSR1SLC22A12LMNA
SCHEMBL18178946 0.85 MAPT (0.38) MAPTRAB9ANPSR1SLC22A12LMNA
SCHEMBL18178934 0.85 NPSR1 (0.38) MAPTRAB9ANPSR1SLC22A12L3MBTL1
SCHEMBL18179036 0.85 MAPT (0.35) MAPTRAB9ANPSR1SLC22A12MRGPRX4

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.