SCHEMBL18156501

SCHEMBL18156501

CCC(=O)Oc1cccc(I)c1COc1cc(F)c(CC)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.41
ACHE P22303 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARA Q07869 1/20 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
KMT2A Q03164 1/20 0.34
ACLY P53396 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 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
SCHEMBL18178589 0.91 MRGPRX4 (0.36) MRGPRX4ACHESLC22A12KDM4EHPGD
SCHEMBL18178579 0.91 MRGPRX4 (0.42) MRGPRX4ACHESLC22A12KDM4EHPGD
SCHEMBL18156442 0.91 ACLY (0.34) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18182046 0.91 ACLY (0.34) MRGPRX4ACHEHPGDHSD17B10ALDH1A1
SCHEMBL18182943 0.90 MRGPRX4 (0.40) MRGPRX4SLC22A12KDM4EHPGDHSD17B10
SCHEMBL18182018 0.90 MRGPRX4 (0.43) MRGPRX4ACHESLC22A12KDM4EHPGD
SCHEMBL18182017 0.90 MRGPRX4 (0.43) MRGPRX4ACHESLC22A12KDM4EHPGD
SCHEMBL18182248 0.90 MRGPRX4 (0.43) MRGPRX4ACHESLC22A12KDM4EHPGD
SCHEMBL18182863 0.90 ACHE (0.37) MRGPRX4ACHESLC22A12KDM4EHPGD
SCHEMBL18181986 0.88 MRGPRX4 (0.37) MRGPRX4ALDH1A1MAPT

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 3 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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP 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 460/4885SLC22A12 4500/4885

“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.