SCHEMBL18178643

SCHEMBL18178643

CCC(=O)Oc1ccccc1COc1cc(Cl)c(C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MRGPRX4 Q96LA9 6/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CLCN2 P51788 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL18178739 0.90 PTGDR2 (0.42) PTGDR2HTTMRGPRX4FFAR4MAPT
SCHEMBL18156101 0.89 HTT (0.43) PTGDR2TP53HTTMRGPRX4NPC1
SCHEMBL18178652 0.89 PTGDR2 (0.46) PTGDR2TP53HTTMRGPRX4FFAR4
SCHEMBL18178543 0.89 PTGDR2 (0.41) PTGDR2HTTMRGPRX4FFAR4MAPT
SCHEMBL18530980 0.89 PTGDR2 (0.49) PTGDR2TP53HTTMRGPRX4FFAR4
SCHEMBL18178244 0.88 PTGDR2 (0.44) PTGDR2TP53HTTMRGPRX4FFAR4
SCHEMBL18530979 0.88 PTGDR2 (0.46) PTGDR2TP53HTTMRGPRX4FFAR4
SCHEMBL18178646 0.88 MRGPRX4 (0.40) PTGDR2TP53HTTMRGPRX4FFAR4
SCHEMBL18178700 0.86 PTGDR2 (0.42) PTGDR2TP53HTTMRGPRX4FFAR4
SCHEMBL18178553 0.86 PTGDR2 (0.44) PTGDR2TP53HTTMRGPRX4FFAR4

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 PTGDR2 4455/4885TP53 4147/4885HTT 4153/4885

“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.