SCHEMBL18178368

SCHEMBL18178368

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
CD274 Q9NZQ7 4/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDCD1 Q15116 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.41
CUL4A Q13619 1/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18182397 0.91 FFAR4 (0.41) ALDH1A1FFAR4CD274THRATHRB
SCHEMBL18178264 0.90 PTGDR2 (0.44) ALDH1A1FFAR4CD274THRATHRB
SCHEMBL18178166 0.90 PARP14 (0.41) ALDH1A1FFAR4CD274THRATHRB
SCHEMBL18178375 0.88 PTGDR2 (0.47) ALDH1A1FFAR4CD274PTGDR2KDM4E
SCHEMBL18178735 0.87 FFAR4 (0.43) ALDH1A1FFAR4CD274THRATHRB
SCHEMBL18178061 0.86 MAPT (0.50) ALDH1A1CD274KDM4EHPGDMEN1
SCHEMBL18178386 0.86 PTGDR2 (0.43) ALDH1A1FFAR4PTGDR2KDM4EHPGD
SCHEMBL18178372 0.85 CD274 (0.38) ALDH1A1FFAR4CD274THRATHRB
SCHEMBL18178355 0.85 PTGDR2 (0.47) FFAR4CD274PTGDR2KDM4EHPGD
SCHEMBL18178346 0.85 PARP10 (0.44) ALDH1A1FFAR4CD274PTGDR2KDM4E

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 ALDH1A1 3176/4885FFAR4 2485/4885CD274 3579/4885

“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.