SCHEMBL18178723

SCHEMBL18178723

CCC(=O)Oc1cccc(Br)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
SLC22A12 Q96S37 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL18178654 0.94 MAPT (0.38) MRGPRX4ACHEMAPTALDH1A1LMNA
SCHEMBL18182002 0.92 MRGPRX4 (0.36) MRGPRX4ACHEMAPTKMT2AALDH1A1
SCHEMBL18178556 0.91 MAPT (0.36) MRGPRX4ACHEMAPTALDH1A1KDM4E
SCHEMBL18178725 0.89 ACHE (0.39) MRGPRX4ACHEMAPTKMT2AALDH1A1
SCHEMBL18178754 0.89 MAPT (0.40) MRGPRX4ACHEMAPTKMT2AALDH1A1
SCHEMBL18178719 0.89 KMT2A (0.41) MRGPRX4ACHEKMT2AALDH1A1SLC22A12
SCHEMBL18178732 0.89 SLC22A12 (0.41) MRGPRX4ACHEMAPTKMT2AALDH1A1
SCHEMBL18178352 0.88 MRGPRX4 (0.38) MRGPRX4MAPTKMT2AALDH1A1LMNA
SCHEMBL18530975 0.87 MAPT (0.40) MRGPRX4ACHEMAPTALDH1A1LMNA
SCHEMBL18178660 0.87 MAPT (0.38) MRGPRX4ACHEMAPTALDH1A1LMNA

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 MRGPRX4 167/4885ACHE 460/4885MAPT 4572/4885

“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.