SCHEMBL18178714

SCHEMBL18178714

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
MRGPRX4 Q96LA9 6/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
SLC22A12 Q96S37 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
NPC1 O15118 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
SCHEMBL18178649 0.94 ACHE (0.36) ACHEMRGPRX4ALDH1A1SLC22A12KDM4E
SCHEMBL18182005 0.92 MRGPRX4 (0.36) ACHEMRGPRX4ALDH1A1KMT2ASLC22A12
SCHEMBL18178557 0.91 MRGPRX4 (0.36) ACHEMRGPRX4ALDH1A1KMT2AKDM4E
SCHEMBL18178719 0.89 KMT2A (0.41) ACHEMRGPRX4ALDH1A1KMT2ASLC22A12
SCHEMBL18178732 0.89 SLC22A12 (0.41) ACHEMRGPRX4ALDH1A1KMT2ASLC22A12
SCHEMBL18178752 0.89 MAPT (0.40) ACHEMRGPRX4ALDH1A1KMT2ASLC22A12
SCHEMBL18178357 0.88 CUL4A (0.36) MRGPRX4ALDH1A1SLC22A12KDM4EHPGD
SCHEMBL18156291 0.87 MRGPRX4 (0.39) MRGPRX4ALDH1A1KMT2AHPGDNPSR1
SCHEMBL18530976 0.87 MAPT (0.38) ACHEMRGPRX4ALDH1A1SLC22A12KDM4E
SCHEMBL18178455 0.87 MRGPRX4 (0.49) MRGPRX4ALDH1A1KMT2AKDM4EHPGD

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 ACHE 460/4885MRGPRX4 167/4885ALDH1A1 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.