SCHEMBL18178264

SCHEMBL18178264

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
HDAC8 Q9BY41 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
CD274 Q9NZQ7 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
PDCD1 Q15116 1/20 0.39

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
SCHEMBL18178368 0.90 ALDH1A1 (0.43) PTGDR2HDAC8ALDH1A1HTTTHRA
SCHEMBL18178263 0.89 PTGDR2 (0.46) PTGDR2HDAC8TP53HTTFABP4
SCHEMBL18178279 0.89 PTGDR2 (0.49) PTGDR2HDAC8TP53HTTFABP4
SCHEMBL18178657 0.88 PTGDR2 (0.44) PTGDR2HDAC8ALDH1A1TP53HTT
SCHEMBL18182163 0.88 HDAC8 (0.42) PTGDR2HDAC8ALDH1A1TP53HTT
SCHEMBL18178291 0.87 PTGDR2 (0.45) PTGDR2HDAC8TP53HTTFABP4
SCHEMBL18178272 0.87 MRGPRX4 (0.37) HDAC8ALDH1A1HTTFABP4FABP5
SCHEMBL18178244 0.86 PTGDR2 (0.44) PTGDR2HDAC8ALDH1A1TP53HTT
SCHEMBL18178166 0.86 PARP14 (0.41) PTGDR2ALDH1A1THRATHRBKDM4E
SCHEMBL18178270 0.86 CD274 (0.37) HDAC8ALDH1A1HTTFABP4FABP5

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 4455/4885HDAC8 101/4885ALDH1A1 3176/4885

“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.