SCHEMBL18178646

SCHEMBL18178646

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.40
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL18178645 0.94 MRGPRX4 (0.37) MRGPRX4ACHETP53HTTFFAR4
SCHEMBL18178648 0.93 MRGPRX4 (0.37) MRGPRX4ACHETP53HTTFFAR4
SCHEMBL18178640 0.91 SLC22A12 (0.39) MRGPRX4ACHEALDH1A1MAPT
SCHEMBL18178639 0.91 ALDH1A1 (0.39) MRGPRX4ACHEALDH1A1L3MBTL1MAPT
SCHEMBL18178638 0.91 ALDH1A1 (0.39) MRGPRX4ACHEALDH1A1L3MBTL1MAPT
SCHEMBL18183033 0.91 MRGPRX4 (0.41) MRGPRX4TP53HTTALDH1A1
SCHEMBL18178718 0.91 MRGPRX4 (0.39) MRGPRX4ACHEHTTALDH1A1MAPK1
SCHEMBL18178250 0.90 MRGPRX4 (0.39) MRGPRX4HTTALDH1A1MAPK1L3MBTL1
SCHEMBL18178545 0.90 MRGPRX4 (0.40) MRGPRX4ACHEALDH1A1MAPK1L3MBTL1
SCHEMBL18178672 0.90 MRGPRX4 (0.40) MRGPRX4ACHETP53HTTFFAR4

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 460/4885TP53 4147/4885

“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.