SCHEMBL18156322

SCHEMBL18156322

CCc1cc(C)c(OCc2c(I)cccc2OC(=O)OC)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 1/20 0.33
MRGPRX4 Q96LA9 4/20 0.33
ALDH1A1 P00352 2/20 0.32
SGPL1 O95470 1/20 0.32
PPARA Q07869 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL18182798 0.93 KDM4E (0.35) SLC22A12MAPTRAB9AKDM4EHPGD
SCHEMBL18178389 0.92 KDM4E (0.35) SLC22A12MAPTRAB9ANPSR1KDM4E
SCHEMBL18178376 0.91 MAPT (0.43) SLC22A12MAPTRAB9ANPSR1KDM4E
SCHEMBL18182943 0.90 MRGPRX4 (0.40) SLC22A12KDM4EHPGDHSD17B10ATP4A
SCHEMBL18182378 0.90 MRGPRX4 (0.35) SLC22A12MAPTRAB9ANPSR1KDM4E
SCHEMBL18182968 0.90 MRGPRX4 (0.35) RAB9AKDM4EHPGDHSD17B10MRGPRX4
SCHEMBL18182395 0.90 FFAR4 (0.35) SLC22A12MAPTRAB9AKDM4EHPGD
SCHEMBL18156231 0.90 CUL4A (0.34) SLC22A12MAPTRAB9AKDM4EHPGD
SCHEMBL18182863 0.90 ACHE (0.37) SLC22A12MAPTRAB9ANPSR1KDM4E
SCHEMBL18182406 0.90 SLC22A12 (0.38) SLC22A12MAPTRAB9ANPSR1KDM4E

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 SLC22A12 4500/4885MAPT 4572/4885RAB9A 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.