SCHEMBL18178740

SCHEMBL18178740

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
ACHE P22303 3/20 0.39
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 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
SCHEMBL18178725 0.93 ACHE (0.39) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18156315 0.92 SLC22A12 (0.39) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178663 0.91 SLC22A12 (0.39) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178564 0.91 SLC22A12 (0.39) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178753 0.90 ACHE (0.38) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178755 0.90 MRGPRX4 (0.38) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178729 0.89 MRGPRX4 (0.38) ACHEHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL18178733 0.89 ACHE (0.37) SLC22A12ACHEKDM4EHPGDHSD17B10
SCHEMBL18178737 0.89 PTGER1 (0.38) SLC22A12ACHE
SCHEMBL18178747 0.88 SLC22A12 (0.47) SLC22A12ACHEKDM4EHPGDHSD17B10

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 SLC22A12 4500/4885ACHE 460/4885KDM4E 2107/4885

“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.