SCHEMBL18156096

SCHEMBL18156096

CCc1ccc(OCc2c(I)cccc2OC(=O)OC)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK10 P53779 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CD274 Q9NZQ7 2/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL18156407 0.90 NPC1 (0.41) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18156391 0.90 MRGPRX4 (0.43) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18182922 0.89 MRGPRX4 (0.43) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18182919 0.89 NPC1 (0.45) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18182154 0.89 MAPT (0.36) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL18156097 0.88 RAB9A (0.43) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18156202 0.88 RORC (0.45) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18156095 0.88 PPARA (0.41) MRGPRX4RAB9AMAPTCD274
SCHEMBL18182738 0.87 LMNA (0.42) MRGPRX4NPC1RAB9ASMN1; SMN2HTT
SCHEMBL18182911 0.87 CYP1A2 (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53

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 3 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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP 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 167/4885NPC1 1520/4885RAB9A 1136/4885

“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.