SCHEMBL18178700

SCHEMBL18178700

CCC(=O)Oc1ccccc1COc1cc(Cl)c(C)cc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.38
FABP4 P15090 3/20 0.38
FABP5 Q01469 3/20 0.38
MRGPRX4 Q96LA9 5/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL18178774 0.91 PTGDR2 (0.40) PTGDR2FFAR4FFAR1NPC1MRGPRX4
SCHEMBL18182450 0.90 TP53 (0.41) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18178300 0.89 FABP4 (0.43) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18178674 0.88 MRGPRX4 (0.39) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18178610 0.88 ACLY (0.39) PTGDR2FFAR4MRGPRX4MAPTLMNA
SCHEMBL18530980 0.87 PTGDR2 (0.49) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18178652 0.87 PTGDR2 (0.46) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18178677 0.87 MRGPRX4 (0.36) HTTNPC1MRGPRX4MAPTLMNA
SCHEMBL18178668 0.86 MRGPRX4 (0.36) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18182896 0.86 PTGDR2 (0.39) PTGDR2FFAR4FFAR1MAPTLMNA

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.