SCHEMBL18178077

SCHEMBL18178077

COC(=O)Oc1cccc(CO)c1COc1ccc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
ANO1 Q5XXA6 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL18178162 0.92 MRGPRX4 (0.47) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18178107 0.90 KDM4E (0.43) MRGPRX4HPGDNPC1RAB9AHSD17B10
SCHEMBL18178121 0.90 MRGPRX4 (0.46) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18178046 0.89 MRGPRX4 (0.48) MRGPRX4HPGDNPC1RAB9AL3MBTL1
SCHEMBL18178048 0.89 MRGPRX4 (0.48) MRGPRX4HPGDNPC1RAB9AL3MBTL1
SCHEMBL18178076 0.89 LMNA (0.44) HPGDNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL18178485 0.88 MRGPRX4 (0.46) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18178380 0.88 MAPT (0.42) MRGPRX4HPGDRAB9AHSD17B10L3MBTL1
SCHEMBL18178873 0.88 MRGPRX4 (0.48) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18178126 0.88 MRGPRX4 (0.50) MRGPRX4HPGDNPC1RAB9ATP53

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 167/4885HPGD 4638/4885NPC1 1520/4885

“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.