SCHEMBL18178735

SCHEMBL18178735

CCC(=O)Oc1ccccc1COc1cc(C)c(C)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 2/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CD274 Q9NZQ7 4/20 0.41
PDCD1 Q15116 1/20 0.41
ACHE P22303 1/20 0.40
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC1A5 Q15758 1/20 0.37
PTGER1 P34995 1/20 0.36
MAPT P10636 2/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL18182266 0.93 FFAR4 (0.41) FFAR4ALDH1A1THRATHRBPTGDR2
SCHEMBL18178567 0.90 FFAR4 (0.40) FFAR4ALDH1A1THRATHRBPTGDR2
SCHEMBL18178657 0.90 PTGDR2 (0.44) FFAR4ALDH1A1THRATHRBPTGDR2
SCHEMBL18156267 0.88 ALDH1A1 (0.44) FFAR4ALDH1A1PTGDR2CD274PDCD1
SCHEMBL18178751 0.88 PTGDR2 (0.47) FFAR4PTGDR2CD274ACHEKMT2A
SCHEMBL18178368 0.87 ALDH1A1 (0.43) FFAR4ALDH1A1THRATHRBPTGDR2
SCHEMBL18178760 0.87 PTGDR2 (0.43) FFAR4PTGDR2ACHEKMT2AKDM4E
SCHEMBL18178753 0.86 ACHE (0.38) FFAR4ALDH1A1THRATHRBPTGDR2
SCHEMBL18178465 0.86 MAPT (0.50) FFAR4ALDH1A1CD274PDCD1KMT2A
SCHEMBL18156500 0.85 CD274 (0.47) FFAR4ALDH1A1CD274PDCD1KMT2A

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 FFAR4 2485/4885ALDH1A1 3176/4885THRA 1374/4885

“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.