SCHEMBL18178733

SCHEMBL18178733

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
SLC22A12 Q96S37 1/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
CD274 Q9NZQ7 2/20 0.33
PDCD1 Q15116 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
PAX8 Q06710 1/20 0.32
HTT P42858 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
SCHEMBL18156346 0.92 HPGD (0.36) ACHESLC22A12HPGDALDH1A1KDM4E
SCHEMBL18178669 0.91 ACHE (0.34) ACHESLC22A12HPGDALDH1A1KDM4E
SCHEMBL18178563 0.91 MRGPRX4 (0.35) ACHESLC22A12HPGDALDH1A1KDM4E
SCHEMBL18178740 0.89 SLC22A12 (0.41) ACHESLC22A12HPGDALDH1A1KDM4E
SCHEMBL18178752 0.89 MAPT (0.40) ACHESLC22A12HPGDALDH1A1KDM4E
SCHEMBL18178725 0.89 ACHE (0.39) ACHESLC22A12HPGDALDH1A1KDM4E
SCHEMBL18178365 0.88 CUL4A (0.36) SLC22A12HPGDALDH1A1KDM4EHSD17B10
SCHEMBL18156318 0.88 ALDH1A1 (0.34) ACHEHPGDALDH1A1KDM4EHSD17B10
SCHEMBL18178469 0.87 TDP1 (0.43) HPGDALDH1A1KDM4EKMT2ALMNA
SCHEMBL18178753 0.87 ACHE (0.38) ACHESLC22A12HPGDALDH1A1KDM4E

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 4500/4885HPGD 4638/4885

“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.