SCHEMBL18178154

SCHEMBL18178154

COC(=O)Oc1cccc(I)c1COc1ccc(C)cc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.35
LPAR1 Q92633 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNMA1 Q12791 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL18178502 0.89 MRGPRX4 (0.35) MRGPRX4HPGDMAPTNPSR1KDM4E
SCHEMBL18178115 0.89 SLC22A12 (0.39) MRGPRX4LPAR1HPGDMAPTNPSR1
SCHEMBL18178399 0.88 KDM4E (0.34) MRGPRX4HPGDMAPTNPSR1KDM4E
SCHEMBL18178082 0.88 KCNMA1 (0.38) MRGPRX4LPAR1HPGDMAPTKDM4E
SCHEMBL18178174 0.88 MRGPRX4 (0.41) MRGPRX4MAPTMEN1KMT2ALMNA
SCHEMBL18182482 0.87 LMNA (0.34) MRGPRX4HPGDMAPTKDM4EHSD17B10
SCHEMBL18178112 0.87 MRGPRX4 (0.40) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL18178130 0.87 MAPT (0.36) MRGPRX4LPAR1HPGDMAPTNPSR1
SCHEMBL18178081 0.87 KDM4E (0.39) MRGPRX4LPAR1HPGDMAPTNPSR1
SCHEMBL18178057 0.87 MRGPRX4 (0.49) MRGPRX4HPGDMAPTNPSR1KDM4E

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 167/4885LPAR1 3386/4885HPGD 4638/4885

“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.