SCHEMBL18178348

SCHEMBL18178348

CCc1cccc(OC(=O)OC)c1COc1cc(C)c(C)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HTT P42858 1/20 0.34
PTGER1 P34995 1/20 0.34
PTPN1 P18031 1/20 0.34
PARP14 Q460N5 1/20 0.34
PARP10 Q53GL7 1/20 0.34
GUCY1B2 O75343 2/20 0.34
GUCY1A2 P33402 2/20 0.34
GUCY1A1 Q02108 2/20 0.34

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 0.94 MRGPRX4 (0.40) MRGPRX4L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL18156222 0.94 FFAR4 (0.36) MRGPRX4L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL18178347 0.92 MRGPRX4 (0.37) MRGPRX4L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL18178250 0.91 MRGPRX4 (0.39) MRGPRX4L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL18178349 0.91 MRGPRX4 (0.37) MRGPRX4L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL18178718 0.89 MRGPRX4 (0.39) MRGPRX4L3MBTL1ALDH1A1MAPK1KDM4E
SCHEMBL18182459 0.89 HPGD (0.36) MRGPRX4ALDH1A1MAPK1KDM4EHPGD
SCHEMBL18178391 0.89 KDM4E (0.38) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18178384 0.89 MAPT (0.43) MRGPRX4L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL18178343 0.89 MRGPRX4 (0.40) MRGPRX4L3MBTL1KDM4EHPGDHSD17B10

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 167/4885L3MBTL1 401/4885ALDH1A1 3176/4885

“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.