SCHEMBL18178044

SCHEMBL18178044

COC(=O)Oc1cccc(Cl)c1COc1ccc(C)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.52
L3MBTL1 Q9Y468 5/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL18178054 0.92 MRGPRX4 (0.51) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178101 0.92 MRGPRX4 (0.47) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178119 0.90 MRGPRX4 (0.49) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178062 0.90 RAB9A (0.52) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178059 0.90 MRGPRX4 (0.49) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178047 0.90 MRGPRX4 (0.49) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178122 0.90 MAPT (0.44) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178051 0.90 MRGPRX4 (0.49) MRGPRX4MAPTRAB9ASMN1; SMN2PTGER1
SCHEMBL18178065 0.90 PTGER1 (0.43) MRGPRX4L3MBTL1MAPTHPGDRAB9A
SCHEMBL18178066 0.90 MRGPRX4 (0.49) MRGPRX4L3MBTL1MAPTHPGDRAB9A

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 401/4885MAPT 4572/4885

“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.