SCHEMBL18178719

SCHEMBL18178719

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
ACHE P22303 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC22A12 Q96S37 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
SCHEMBL18178650 0.94 MRGPRX4 (0.39) KMT2AALDH1A1MRGPRX4ACHEPTGER1
SCHEMBL18178732 0.93 SLC22A12 (0.41) KMT2AALDH1A1MRGPRX4ACHENPC1
SCHEMBL18178750 0.93 MRGPRX4 (0.40) KMT2AALDH1A1MRGPRX4ACHEPTGER1
SCHEMBL18182028 0.92 KMT2A (0.39) KMT2AALDH1A1MRGPRX4ACHEPTGER1
SCHEMBL18178555 0.91 ALDH1A1 (0.39) KMT2AALDH1A1MRGPRX4ACHERAB9A
SCHEMBL18178759 0.90 PTGER1 (0.39) KMT2AALDH1A1MRGPRX4ACHEPTGER1
SCHEMBL18178730 0.90 MRGPRX4 (0.38) KMT2AALDH1A1MRGPRX4ACHENPC1
SCHEMBL18178721 0.90 MRGPRX4 (0.40) KMT2AALDH1A1MRGPRX4ACHEPTGER1
SCHEMBL18178748 0.89 ALDH1A1 (0.40) KMT2AALDH1A1ACHEMEN1RAB9A
SCHEMBL18178716 0.89 ALDH1A1 (0.40) KMT2AALDH1A1MRGPRX4ACHERAB9A

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 KMT2A 2232/4885ALDH1A1 3176/4885MRGPRX4 167/4885

“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.