SCHEMBL18179040

SCHEMBL18179040

CCOc1cccc(OC(=S)CC)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18532849 0.90 MRGPRX4 (0.33) ALDH1A1MAPTHTTNPSR1MRGPRX4
SCHEMBL18182680 0.90 MRGPRX4 (0.35) ALDH1A1MAPTHTTNPSR1RAB9A
SCHEMBL18179043 0.90 SLC22A12 (0.41) ALDH1A1MAPTNPSR1RAB9AMRGPRX4
SCHEMBL18179026 0.88 ALDH1A1 (0.37) ALDH1A1MAPTHTTNPSR1RAB9A
SCHEMBL18178919 0.88 MRGPRX4 (0.43) ALDH1A1MAPTRAB9AMRGPRX4LMNA
SCHEMBL18179038 0.86 MAPT (0.35) ALDH1A1MAPTNPSR1RAB9AMRGPRX4
SCHEMBL18178946 0.86 MAPT (0.38) ALDH1A1MAPTHTTNPSR1RAB9A
SCHEMBL18179041 0.86 MAPT (0.38) ALDH1A1MAPTNPSR1RAB9AMRGPRX4
SCHEMBL18179032 0.86 MRGPRX4 (0.38) ALDH1A1MAPTNPSR1RAB9AMRGPRX4
SCHEMBL18179034 0.86 NPSR1 (0.36) ALDH1A1MAPTNPSR1RAB9AMRGPRX4

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 ALDH1A1 3176/4885MAPT 4572/4885HTT 4153/4885

“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.