SCHEMBL18178178

SCHEMBL18178178

CCc1cccc(OC(=O)OC)c1COc1cc(F)c(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.42
SLC22A12 Q96S37 1/20 0.36
PPARA Q07869 2/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MCL1 Q07820 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGER1 P34995 1/20 0.34
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 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
SCHEMBL18178128 0.93 MRGPRX4 (0.40) MRGPRX4SLC22A12MAPTRAB9AKDM4E
SCHEMBL18182142 0.93 MRGPRX4 (0.42) MRGPRX4SLC22A12PPARAMAPTRAB9A
SCHEMBL18178194 0.93 MRGPRX4 (0.37) MRGPRX4SLC22A12PPARAMAPTRAB9A
SCHEMBL18178206 0.92 MRGPRX4 (0.41) MRGPRX4SLC22A12PPARAMAPTRAB9A
SCHEMBL18178180 0.91 MRGPRX4 (0.41) MRGPRX4SLC22A12PPARAMAPTRAB9A
SCHEMBL18178384 0.91 MAPT (0.43) MRGPRX4SLC22A12MAPTRAB9ANPSR1
SCHEMBL18178181 0.90 PTGER1 (0.36) MRGPRX4KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL18178158 0.90 MRGPRX4 (0.39) MRGPRX4MAPTNPSR1KDM4ELMNA
SCHEMBL18178581 0.90 MRGPRX4 (0.43) MRGPRX4SLC22A12PPARAMAPTNPSR1
SCHEMBL18178175 0.90 MRGPRX4 (0.44) MRGPRX4SLC22A12PPARAMAPTRAB9A

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 167/4885SLC22A12 4500/4885PPARA 3076/4885

“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.