SCHEMBL18179032

SCHEMBL18179032

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.38
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
PTGER1 P34995 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
LMNA P02545 2/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCL1 Q07820 1/20 0.32
GUCY1B2 O75343 2/20 0.31
GUCY1A2 P33402 2/20 0.31
GUCY1A1 Q02108 2/20 0.31
GUCY1B1 Q02153 2/20 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
SCHEMBL18182621 0.91 MRGPRX4 (0.37) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18179043 0.88 SLC22A12 (0.41) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18178912 0.88 MRGPRX4 (0.42) MRGPRX4RAB9AMAPTLTB4RLTB4R2
SCHEMBL18179013 0.87 MRGPRX4 (0.39) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18179040 0.86 ALDH1A1 (0.36) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18156286 0.86 MRGPRX4 (0.39) MRGPRX4SLC22A12
SCHEMBL18178745 0.85 MRGPRX4 (0.43) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18179041 0.85 MAPT (0.38) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18179038 0.85 MAPT (0.35) MRGPRX4RAB9ANPSR1MAPTSLC22A12
SCHEMBL18178933 0.85 MRGPRX4 (0.38) MRGPRX4RAB9ANPSR1MAPTSLC22A12

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 MRGPRX4 167/4885RAB9A 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.