SCHEMBL18178668

SCHEMBL18178668

CCC(=O)Oc1cccc(CO)c1COc1cc(Cl)c(C)cc1C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.36
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ACHE P22303 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 2/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18178674 0.94 MRGPRX4 (0.39) MRGPRX4FABP4FABP5GAASMN1; SMN2
SCHEMBL18178779 0.92 ACHE (0.35) MRGPRX4GAAMAPK1ACHELMNA
SCHEMBL18178705 0.91 MRGPRX4 (0.35) MRGPRX4FABP4FABP5GAASMN1; SMN2
SCHEMBL18178307 0.90 FABP4 (0.37) MRGPRX4FABP4FABP5GAASMN1; SMN2
SCHEMBL18178658 0.90 SLC22A12 (0.37) MRGPRX4GAASMN1; SMN2MAPK1TSHR
SCHEMBL18178703 0.90 ALDH1A1 (0.36) MRGPRX4ACHEMAPTPTGER1PTGER4
SCHEMBL18178614 0.89 GUCY1B2 (0.35) MRGPRX4GAAMAPK1ACHELMNA
SCHEMBL18178677 0.89 MRGPRX4 (0.36) MRGPRX4SMN1; SMN2TSHRHTTACHE
SCHEMBL18178691 0.89 MRGPRX4 (0.40) MRGPRX4GAASMN1; SMN2MAPK1HTT
SCHEMBL18530984 0.89 MRGPRX4 (0.38) MRGPRX4GAASMN1; SMN2MAPK1HTT

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 167/4885FABP4 4134/4885FABP5 3786/4885

“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.