SCHEMBL18178403

SCHEMBL18178403

CCOc1cccc(OC(=O)OC)c1COc1cc(C)c(C)cc1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.34
EZH2 Q15910 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL18182212 0.92 MRGPRX4 (0.35) MRGPRX4KCNK3KCNK9KDM4EHPGD
SCHEMBL18178205 0.92 PTGS1 (0.36) MRGPRX4KCNK3KCNK9KDM4EHPGD
SCHEMBL18178304 0.91 LMNA (0.39) MRGPRX4KCNK3KCNK9KDM4EHPGD
SCHEMBL18178397 0.91 SLC22A12 (0.40) MRGPRX4KDM4EHPGDHSD17B10MAPT
SCHEMBL18178402 0.90 KDM4E (0.34) MRGPRX4KDM4EHPGDHSD17B10MAPT
SCHEMBL18178783 0.90 MRGPRX4 (0.38) MRGPRX4KDM4EHPGDHSD17B10EZH2
SCHEMBL18178396 0.89 GUCY1B2 (0.37) MRGPRX4KDM4EHPGDHSD17B10
SCHEMBL18178383 0.88 MAPT (0.43) MRGPRX4KCNK3KCNK9KDM4EHPGD
SCHEMBL18178082 0.88 KCNMA1 (0.38) MRGPRX4KCNK3KCNK9KDM4EHPGD
SCHEMBL18178401 0.88 LMNA (0.38) MRGPRX4KDM4EHPGDHSD17B10MAPT

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 167/4885KCNK3 463/4885KCNK9 626/4885

“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.