SCHEMBL18178182

SCHEMBL18178182

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.42
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
KAT6A Q92794 1/20 0.36
STING1 Q86WV6 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 2/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL18178142 0.93 MRGPRX4 (0.40) MRGPRX4PTGS1PTGS2MEN1KMT2A
SCHEMBL18178189 0.91 PTGS1 (0.36) MRGPRX4PTGS1PTGS2MEN1KMT2A
SCHEMBL18182147 0.91 MRGPRX4 (0.41) MRGPRX4PTGS1PTGS2MEN1KMT2A
SCHEMBL18178383 0.91 MAPT (0.43) MRGPRX4LMNAHTTALDH1A1SLC22A12
SCHEMBL18178147 0.90 ALDH1A1 (0.41) MRGPRX4PTGS1PTGS2LMNAALDH1A1
SCHEMBL18178164 0.90 MAPT (0.36) MRGPRX4PTGS1PTGS2MEN1KMT2A
SCHEMBL18178205 0.90 PTGS1 (0.36) MRGPRX4PTGS1PTGS2MEN1KMT2A
SCHEMBL18178585 0.90 MRGPRX4 (0.43) MRGPRX4PTGS1PTGS2MEN1KMT2A
SCHEMBL18178175 0.90 MRGPRX4 (0.44) MRGPRX4MEN1KMT2ALMNASLC22A12
SCHEMBL18178172 0.90 MRGPRX4 (0.44) MRGPRX4LMNASLC22A12PPARAMAPT

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 167/4885PTGS1 4413/4885PTGS2 4649/4885

“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.