SCHEMBL18178738

SCHEMBL18178738

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.36
ACHE P22303 2/20 0.36
PDCD1 Q15116 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
FOLH1 Q04609 1/20 0.33
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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 0.92 ACHE (0.38) CD274ACHEPDCD1KDM4EHPGD
SCHEMBL18530974 0.92 MRGPRX4 (0.35) CD274ACHEPDCD1ALDH1A1THRA
SCHEMBL18178571 0.92 MRGPRX4 (0.34) CD274ACHEPDCD1KDM4EHPGD
SCHEMBL18178744 0.90 CD274 (0.38) CD274ACHEPDCD1KDM4EHPGD
SCHEMBL18178756 0.90 NPSR1 (0.39) CD274ACHEKDM4EHPGDHSD17B10
SCHEMBL18178373 0.89 CD274 (0.37) CD274PDCD1KDM4EHPGDHSD17B10
SCHEMBL18178764 0.89 ACHE (0.37) ACHEKDM4EHPGDHSD17B10LMNA
SCHEMBL18178467 0.88 MAPT (0.42) CD274PDCD1KDM4EHPGDLMNA
SCHEMBL18178740 0.87 SLC22A12 (0.41) CD274ACHEPDCD1KDM4EHPGD
SCHEMBL18178725 0.87 ACHE (0.39) CD274ACHEPDCD1KDM4EHPGD

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 3579/4885ACHE 460/4885PDCD1 2625/4885

“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.