SCHEMBL18178725

SCHEMBL18178725

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
SLC22A12 Q96S37 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL18178754 0.93 MAPT (0.40) ACHESLC22A12ATMLMNAALDH1A1
SCHEMBL18178740 0.93 SLC22A12 (0.41) ACHESLC22A12ATMLMNAALDH1A1
SCHEMBL18182264 0.92 KMT2A (0.38) ACHESLC22A12LMNAALDH1A1GAA
SCHEMBL18178562 0.91 MRGPRX4 (0.37) ACHESLC22A12ATMLMNAALDH1A1
SCHEMBL18178660 0.91 MAPT (0.38) ACHESLC22A12LMNAALDH1A1KDM4E
SCHEMBL18178755 0.90 MRGPRX4 (0.38) ACHESLC22A12LMNAALDH1A1GAA
SCHEMBL18178753 0.90 ACHE (0.38) ACHESLC22A12LMNAALDH1A1GAA
SCHEMBL18178766 0.90 ACHE (0.38) ACHESLC22A12ATMLMNAALDH1A1
SCHEMBL18178723 0.89 MRGPRX4 (0.38) ACHESLC22A12ATMLMNAALDH1A1
SCHEMBL18178693 0.89 MRGPRX4 (0.38) ACHESLC22A12ATMLMNAALDH1A1

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 ACHE 460/4885SLC22A12 4500/4885ATM 1683/4885

“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.