SCHEMBL18178729

SCHEMBL18178729

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL18178662 0.94 MRGPRX4 (0.37) MRGPRX4ACHEPTGER1PTGER4PTGER3
SCHEMBL18182262 0.92 NPC1 (0.38) MRGPRX4KMT2AALDH1A1ACHEPTGER1
SCHEMBL18178568 0.91 PTGER1 (0.38) MRGPRX4ALDH1A1PTGER1RAB9A
SCHEMBL18178719 0.89 KMT2A (0.41) MRGPRX4KMT2AALDH1A1ACHEPTGER1
SCHEMBL18178740 0.89 SLC22A12 (0.41) KMT2AALDH1A1ACHEHPGDRAB9A
SCHEMBL18178750 0.89 MRGPRX4 (0.40) MRGPRX4KMT2AALDH1A1ACHEPTGER1
SCHEMBL18178725 0.89 ACHE (0.39) MRGPRX4KMT2AALDH1A1ACHENPC1
SCHEMBL18156316 0.88 PTGER1 (0.38) MRGPRX4KMT2AALDH1A1PTGER1PTGER4
SCHEMBL18178364 0.88 MRGPRX4 (0.38) MRGPRX4KMT2AALDH1A1PTGER1PTGER4
SCHEMBL18178466 0.87 HPGD (0.43) MRGPRX4KMT2APTGER1PTGER4PTGER3

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 167/4885KMT2A 2232/4885ALDH1A1 3176/4885

“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.