SCHEMBL18178203

SCHEMBL18178203

COC(=O)Oc1cccc(I)c1COc1cc(F)c(C)cc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.35
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
GUCY1B2 O75343 2/20 0.32
GUCY1A2 P33402 2/20 0.32
GUCY1A1 Q02108 2/20 0.32
GUCY1B1 Q02153 2/20 0.32
PTPN1 P18031 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL18178399 0.93 KDM4E (0.34) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18178196 0.90 MRGPRX4 (0.37) MRGPRX4KDM4EHPGDHSD17B10GUCY1B2
SCHEMBL18178200 0.90 SLC22A12 (0.38) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18178597 0.90 MRGPRX4 (0.35) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18178113 0.89 MRGPRX4 (0.40) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18178199 0.89 MRGPRX4 (0.42) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18182829 0.89 ALDH1A1 (0.32) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18178299 0.89 LMNA (0.38) MRGPRX4KDM4EHPGDHSD17B10LMNA
SCHEMBL18178205 0.88 PTGS1 (0.36) MRGPRX4KDM4EHPGDHSD17B10MAPT
SCHEMBL18178207 0.88 ALDH1A1 (0.39) MRGPRX4LMNARAB9AMAPTL3MBTL1

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 167/4885KDM4E 2107/4885HPGD 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.