SCHEMBL18179022

SCHEMBL18179022

CC(=S)Oc1cccc(CS)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MRGPRX4 Q96LA9 3/20 0.30
BDKRB2 P30411 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
SCHEMBL18179017 0.89 MAPT (0.38) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18179021 0.89 MAPT (0.36) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18178903 0.88 MRGPRX4 (0.42) MAPTRAB9APOLBMRGPRX4
SCHEMBL18178943 0.88 MAPT (0.36) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18179039 0.88 NPSR1 (0.34) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18178997 0.88 PTPN1 (0.41) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18178980 0.87 MAPT (0.36) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18179012 0.85 SLC22A12 (0.43) NPSR1MAPTRAB9ASLC22A12ALDH1A1
SCHEMBL18178957 0.83 MAPT (0.39) NPSR1MAPTRAB9ASLC22A12PTGDR2
SCHEMBL18178382 0.83 MAPT (0.41) NPSR1MAPTRAB9ASLC22A12PTGDR2

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 930/4885MAPT 4572/4885RAB9A 1136/4885

“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.