SCHEMBL18178724

SCHEMBL18178724

CCC(=O)Oc1cccc(CS)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.38
ACHE P22303 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FABP4 P15090 4/20 0.34
FABP5 Q01469 4/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL18178688 0.94 MRGPRX4 (0.39) MRGPRX4ACHEPTGDR2PTGER1PTGER4
SCHEMBL18178721 0.92 MRGPRX4 (0.40) MRGPRX4ACHEPTGDR2PTGER1PTGER4
SCHEMBL18178558 0.92 MRGPRX4 (0.37) MRGPRX4ACHEPTGDR2PTGER1PTGER4
SCHEMBL18178726 0.90 MRGPRX4 (0.38) MRGPRX4ACHEPTGDR2PTGER1PTGER4
SCHEMBL18178756 0.90 NPSR1 (0.39) MRGPRX4ACHEPTGDR2KMT2AKDM4E
SCHEMBL18178362 0.89 FABP4 (0.38) MRGPRX4PTGDR2PTGER1PTGER4PTGER3
SCHEMBL18178764 0.89 ACHE (0.37) ACHEPTGDR2KMT2AKDM4EHPGD
SCHEMBL18530988 0.88 MRGPRX4 (0.37) MRGPRX4ACHEPTGDR2PTGER1PTGER4
SCHEMBL18178459 0.88 MRGPRX4 (0.47) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL18178732 0.87 SLC22A12 (0.41) MRGPRX4ACHEKMT2AKDM4EHPGD

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 167/4885ACHE 460/4885PTGDR2 4455/4885

“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.