SCHEMBL18178066

SCHEMBL18178066

CCc1cccc(OC(=O)OC)c1COc1ccc(C)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.49
L3MBTL1 Q9Y468 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 4/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CD274 Q9NZQ7 3/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL18178048 0.92 MRGPRX4 (0.48) MRGPRX4L3MBTL1RAB9AMAPTATM
SCHEMBL18178055 0.91 MRGPRX4 (0.47) MRGPRX4L3MBTL1RAB9AMAPTATM
SCHEMBL18178460 0.90 MRGPRX4 (0.50) MRGPRX4L3MBTL1RAB9AMAPTATM
SCHEMBL18178044 0.90 MRGPRX4 (0.52) MRGPRX4L3MBTL1RAB9AMAPTATM
SCHEMBL18178168 0.90 KDM4E (0.45) MRGPRX4L3MBTL1RAB9AMAPTKDM4E
SCHEMBL18178062 0.89 RAB9A (0.52) MRGPRX4L3MBTL1RAB9AMAPTATM
SCHEMBL18182922 0.89 MRGPRX4 (0.43) MRGPRX4RAB9AMAPTNPC1HPGD
SCHEMBL18178162 0.88 MRGPRX4 (0.47) MRGPRX4L3MBTL1RAB9AMAPTKDM4E
SCHEMBL18178054 0.88 MRGPRX4 (0.51) MRGPRX4L3MBTL1RAB9AMAPTATM
SCHEMBL18178359 0.87 MRGPRX4 (0.40) MRGPRX4PTGER1PTGER4PTGER3PTGER2

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 401/4885RAB9A 1136/4885

“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.