SCHEMBL18182005

SCHEMBL18182005

CCC(=O)Oc1cccc(I)c1COc1cc(C)c(CC)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.36
ACHE P22303 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 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
NPC1 O15118 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 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
SCHEMBL18178714 0.92 ACHE (0.37) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18156291 0.91 MRGPRX4 (0.39) MRGPRX4HPGDALDH1A1NPSR1KMT2A
SCHEMBL18182968 0.90 MRGPRX4 (0.35) MRGPRX4KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL18182863 0.90 ACHE (0.37) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18182865 0.90 ACHE (0.37) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18182028 0.90 KMT2A (0.39) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18182006 0.90 SLC22A12 (0.39) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18182041 0.90 MRGPRX4 (0.40) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18178649 0.89 ACHE (0.36) MRGPRX4ACHEKDM4EHPGDHSD17B10
SCHEMBL18181986 0.88 MRGPRX4 (0.37) MRGPRX4ALDH1A1PTGER1PTGER4PTGER3

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 460/4885KDM4E 2107/4885

“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.