SCHEMBL18156431

SCHEMBL18156431

CCOc1cccc(OC(=O)OC)c1COc1ccc(CC)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
MAOB P27338 2/20 0.39
PPARA Q07869 1/20 0.39
CD274 Q9NZQ7 3/20 0.38
PDCD1 Q15116 2/20 0.38
FFAR1 O14842 2/20 0.38
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MMP1 P03956 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL18156428 0.92 HDAC8 (0.45) HDAC8MAOBPPARACD274PDCD1
SCHEMBL18182390 0.91 MAOB (0.41) HDAC8MAOBPPARACD274PDCD1
SCHEMBL18182842 0.91 FFAR1 (0.41) HDAC8MAOBPPARAFFAR1S1PR5
SCHEMBL18178336 0.91 ATM (0.44) ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL18183070 0.90 ATM (0.38) HDAC8MAOBPPARAFFAR1S1PR5
SCHEMBL18182776 0.88 MAOB (0.43) MAOBPPARAFFAR1MMP1FFAR4
SCHEMBL18156410 0.88 MAOB (0.39) HDAC8MAOBPPARACD274FFAR1
SCHEMBL18182769 0.88 HDAC8 (0.43) HDAC8MAOBPPARAFFAR1S1PR5
SCHEMBL18156088 0.88 PPARD (0.40) HDAC8MAOBFFAR1ALDH1A1GAA
SCHEMBL18182780 0.88 KMT2A (0.41) HDAC8MAOBPPARAFFAR1S1PR5

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 3 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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP 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 HDAC8 101/4885MAOB 1775/4885PPARA 3076/4885

“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.