SCHEMBL18156441

SCHEMBL18156441

CCC(=O)Oc1cccc(Br)c1COc1cc(F)c(CC)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGER1 P34995 1/20 0.34
MAPK14 Q16539 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18181979 0.93 ACLY (0.34) ACLYALDH1A1PTGER1MAPK14MRGPRX4
SCHEMBL18182044 0.93 ACLY (0.34) ACLYALDH1A1PTGER1MAPK14MRGPRX4
SCHEMBL18156499 0.91 MRGPRX4 (0.41) PTGER1MAPK14MRGPRX4LMNAMAPT
SCHEMBL18182801 0.91 FFAR4 (0.35) ACLYALDH1A1PTGER1MAPK14MRGPRX4
SCHEMBL18183030 0.90 MRGPRX4 (0.37) ACLYALDH1A1PTGER1MAPK14MRGPRX4
SCHEMBL18182016 0.90 MRGPRX4 (0.37) ALDH1A1PTGER1MAPK14MRGPRX4MAPT
SCHEMBL18182939 0.90 PTGER1 (0.35) ALDH1A1PTGER1MAPK14MEN1LMNA
SCHEMBL18181976 0.90 ACLY (0.36) ACLYALDH1A1MRGPRX4MEN1LMNA
SCHEMBL18183003 0.90 LTB4R (0.37) ACLYALDH1A1MRGPRX4MEN1LMNA
SCHEMBL18156230 0.89 ACLY (0.34) ACLYALDH1A1PTGER1MAPK14MRGPRX4

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 ACLY 1774/4885ALDH1A1 3176/4885PTGER1 4234/4885

“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.