SCHEMBL18178657

SCHEMBL18178657

CCC(=O)Oc1ccccc1COc1cc(Cl)c(C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
PDCD1 Q15116 1/20 0.39
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
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
SCHEMBL18178735 0.90 FFAR4 (0.43) PTGDR2ALDH1A1HTTTHRATHRB
SCHEMBL18182577 0.89 ALDH1A1 (0.43) PTGDR2ALDH1A1TP53HTTFFAR4
SCHEMBL18178652 0.89 PTGDR2 (0.46) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18530980 0.89 PTGDR2 (0.49) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18178264 0.88 PTGDR2 (0.44) PTGDR2ALDH1A1TP53HTTTHRA
SCHEMBL18530979 0.88 PTGDR2 (0.46) PTGDR2TP53HTTFFAR4FFAR1
SCHEMBL18530972 0.88 MRGPRX4 (0.38) PTGDR2ALDH1A1TP53HTTTHRA
SCHEMBL18178567 0.86 FFAR4 (0.40) PTGDR2ALDH1A1THRATHRBFFAR4
SCHEMBL18178643 0.86 PTGDR2 (0.44) PTGDR2ALDH1A1TP53HTTFFAR4
SCHEMBL18530981 0.86 CD274 (0.36) PTGDR2ALDH1A1TP53HTTTHRA

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 4455/4885ALDH1A1 3176/4885TP53 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.