SCHEMBL18178744

SCHEMBL18178744

CCC(=O)Oc1cccc(CO)c1COc1cc(C)c(C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.38
PDCD1 Q15116 1/20 0.38
ACHE P22303 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SLC22A12 Q96S37 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL18178753 0.93 ACHE (0.38) CD274PDCD1ACHELMNAKDM4E
SCHEMBL18178573 0.91 CD274 (0.36) CD274PDCD1ACHELMNAKDM4E
SCHEMBL18530981 0.91 CD274 (0.36) CD274PDCD1ACHEALDH1A1THRA
SCHEMBL18178738 0.90 CD274 (0.36) CD274PDCD1ACHELMNAKDM4E
SCHEMBL18178757 0.90 NPSR1 (0.39) CD274ACHELMNAKDM4EHPGD
SCHEMBL18178370 0.89 CD274 (0.39) CD274PDCD1LMNAKDM4EHPGD
SCHEMBL18178767 0.88 ACHE (0.38) CD274PDCD1ACHELMNAKDM4E
SCHEMBL18178740 0.88 SLC22A12 (0.41) CD274PDCD1ACHELMNAKDM4E
SCHEMBL18178725 0.88 ACHE (0.39) CD274PDCD1ACHELMNAKDM4E
SCHEMBL18178475 0.88 HPGD (0.43) CD274PDCD1LMNAKDM4EHPGD

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 CD274 3579/4885PDCD1 2625/4885ACHE 460/4885

“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.