SCHEMBL18178205

SCHEMBL18178205

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KAT6A Q92794 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
STING1 Q86WV6 1/20 0.34
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
EZH2 Q15910 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL18178403 0.92 MRGPRX4 (0.37) PTGS1PTGS2MRGPRX4ALDH1A1MEN1
SCHEMBL18178196 0.91 MRGPRX4 (0.37) MRGPRX4POLBALDH1A1KDM4EHPGD
SCHEMBL18178200 0.91 SLC22A12 (0.38) MRGPRX4MAPTKDM4EHPGDHSD17B10
SCHEMBL18178210 0.91 MRGPRX4 (0.35) MRGPRX4ALDH1A1KAT6AMAPTKDM4E
SCHEMBL18178606 0.90 PTGS1 (0.36) PTGS1PTGS2MRGPRX4POLBALDH1A1
SCHEMBL18178182 0.90 MRGPRX4 (0.42) PTGS1PTGS2MRGPRX4POLBALDH1A1
SCHEMBL18178142 0.90 MRGPRX4 (0.40) PTGS1PTGS2MRGPRX4POLBALDH1A1
SCHEMBL18182472 0.89 ALDH1A1 (0.37) PTGS1PTGS2MRGPRX4POLBALDH1A1
SCHEMBL18178203 0.88 MRGPRX4 (0.35) MRGPRX4MEN1KMT2AMAPTKDM4E
SCHEMBL18178207 0.88 ALDH1A1 (0.39) MRGPRX4POLBALDH1A1KMT2AMAPT

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 PTGS1 4413/4885PTGS2 4649/4885MRGPRX4 167/4885

“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.