SCHEMBL18178569

SCHEMBL18178569

CCOc1cccc(OC(=O)CC)c1COc1cc(F)c(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STING1 Q86WV6 1/20 0.35
MAPT P10636 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACLY P53396 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
SCHEMBL18178564 0.91 SLC22A12 (0.39) MRGPRX4ACHEALDH1A1LMNAGAA
SCHEMBL18178562 0.91 MRGPRX4 (0.37) MRGPRX4ACHEALDH1A1LMNAGAA
SCHEMBL18178566 0.91 PTGER1 (0.38) MRGPRX4ACHEACLY
SCHEMBL18178755 0.91 MRGPRX4 (0.38) MRGPRX4ACHEALDH1A1LMNAGAA
SCHEMBL18178164 0.90 MAPT (0.36) PTGS1PTGS2MRGPRX4ALDH1A1LMNA
SCHEMBL18178548 0.90 MRGPRX4 (0.40) PTGS1PTGS2MRGPRX4ACHEALDH1A1
SCHEMBL18178585 0.90 MRGPRX4 (0.43) PTGS1PTGS2MRGPRX4ACHEALDH1A1
SCHEMBL18178572 0.89 MRGPRX4 (0.36) MRGPRX4ACHEALDH1A1LMNAGAA
SCHEMBL18182575 0.89 PTGS1 (0.36) PTGS1PTGS2MRGPRX4ALDH1A1LMNA
SCHEMBL18178568 0.88 PTGER1 (0.38) MRGPRX4ALDH1A1MAPTPOLBMAPK14

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 PTGS1 4413/4885PTGS2 4649/4885MRGPRX4 167/4885

“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.