SCHEMBL18178961

SCHEMBL18178961

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC22A12 Q96S37 1/20 0.38
ACHE P22303 1/20 0.37
EPHX1 P07099 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MRGPRX4 Q96LA9 2/20 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
SCHEMBL18178962 0.92 MAPT (0.42) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL18178969 0.89 MAPT (0.40) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL18178842 0.88 MRGPRX4 (0.46) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL18178960 0.88 SLC22A12 (0.46) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL18178380 0.87 MAPT (0.42) ALDH1A1HSD17B10MAPTRAB9ANPSR1
SCHEMBL18179000 0.86 PTPN1 (0.42) ALDH1A1GAAHSD17B10MAPTRAB9A
SCHEMBL18182552 0.86 ALDH1A1 (0.40) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL18178972 0.86 MAPT (0.36) ALDH1A1MAPTRAB9ANPSR1SLC22A12
SCHEMBL18178952 0.84 MAPT (0.39) MAPTRAB9ANPSR1SLC22A12PTGDR2
SCHEMBL18178757 0.84 NPSR1 (0.39) ALDH1A1GAAMAPK1HSD17B10MAPT

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 ALDH1A1 3176/4885PGR 1762/4885GAA 4725/4885

“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.