SCHEMBL18178069

SCHEMBL18178069

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.47
HPGD P15428 3/20 0.42
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 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARD Q03181 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PTPRE P23469 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PTGER1 P34995 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 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
SCHEMBL18178045 0.92 MRGPRX4 (0.52) MRGPRX4ALDH1A1PTGER1MAPTLMNA
SCHEMBL18178126 0.89 MRGPRX4 (0.50) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18178059 0.88 MRGPRX4 (0.49) MRGPRX4HPGDNPC1RAB9AL3MBTL1
SCHEMBL18178072 0.88 KDM4E (0.46) MRGPRX4HPGDNPC1RAB9AL3MBTL1
SCHEMBL18178124 0.88 PTGER1 (0.42) MRGPRX4L3MBTL1TDP1PTGER1MAPT
SCHEMBL18178481 0.88 MRGPRX4 (0.47) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18178381 0.88 MRGPRX4 (0.43) MRGPRX4HPGDRAB9AHSD17B10L3MBTL1
SCHEMBL18178865 0.88 MRGPRX4 (0.49) MRGPRX4HPGDNPC1RAB9ATP53
SCHEMBL18182353 0.87 PPARA (0.44) MRGPRX4RAB9AL3MBTL1PPARDFFAR4
SCHEMBL18178174 0.87 MRGPRX4 (0.41) MRGPRX4PTGER1MAPTLMNA

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.