SCHEMBL18178757

SCHEMBL18178757

CCC(=O)Oc1cccc(CO)c1COc1cc(C)c(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ACHE P22303 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MRGPRX4 Q96LA9 3/20 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
SCHEMBL18178749 0.93 NPSR1 (0.41) NPSR1MAPTRAB9AACHESLC22A12
SCHEMBL18178767 0.92 ACHE (0.38) NPSR1ACHESLC22A12KDM4EHPGD
SCHEMBL18178592 0.91 MRGPRX4 (0.41) NPSR1ACHESLC22A12KDM4EHPGD
SCHEMBL18530984 0.91 MRGPRX4 (0.38) NPSR1MAPTACHESLC22A12KDM4E
SCHEMBL18178726 0.90 MRGPRX4 (0.38) MAPTRAB9AACHEKDM4EHPGD
SCHEMBL18178743 0.90 MRGPRX4 (0.37) NPSR1ACHESLC22A12KDM4EHPGD
SCHEMBL18178744 0.90 CD274 (0.38) NPSR1ACHESLC22A12KDM4EHPGD
SCHEMBL18178756 0.89 NPSR1 (0.39) NPSR1MAPTRAB9AACHESLC22A12
SCHEMBL18178485 0.88 MRGPRX4 (0.46) NPSR1MAPTRAB9AACHEKDM4E
SCHEMBL18178380 0.88 MAPT (0.42) NPSR1MAPTRAB9ASLC22A12KDM4E

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 NPSR1 930/4885MAPT 4572/4885RAB9A 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.