SCHEMBL18182802

SCHEMBL18182802

CCC(=O)Oc1cccc(I)c1COc1cc(C)c(CC)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MRGPRX4 Q96LA9 6/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
ACLY P53396 1/20 0.33
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
GUCY1B2 O75343 2/20 0.32
GUCY1A2 P33402 2/20 0.32
GUCY1A1 Q02108 2/20 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
SCHEMBL18178741 0.92 MRGPRX4 (0.38) ACHEALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18156442 0.91 ACLY (0.34) ACHEALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18182395 0.90 FFAR4 (0.35) FFAR4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18182863 0.90 ACHE (0.37) FFAR4ACHEALDH1A1HPGDHSD17B10
SCHEMBL18182865 0.90 ACHE (0.37) ACHEALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18182884 0.90 SLC22A12 (0.39) FFAR4ACHEALDH1A1HPGDHSD17B10
SCHEMBL18182853 0.90 GUCY1B2 (0.38) FFAR4ACHEALDH1A1HPGDHSD17B10
SCHEMBL18156297 0.90 ACHE (0.37) FFAR4ACHEALDH1A1HPGDHSD17B10
SCHEMBL18178542 0.89 MRGPRX4 (0.40) ACHEALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18183037 0.88 MRGPRX4 (0.37) ALDH1A1MRGPRX4ACLYLTB4RLTB4R2

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 FFAR4 2485/4885ACHE 460/4885ALDH1A1 3176/4885

“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.