SCHEMBL4944820

SCHEMBL4944820

COc1ccc(CC(=O)O)c(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
STING1 Q86WV6 1/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BMP1 P13497 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
CA5A P35218 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL9786071 0.89 HSD17B10 (0.54) HSD17B10STING1GAANPSR1ALDH1A1
SCHEMBL5146259 0.89 HSD17B10 (0.54) HSD17B10STING1GAANPSR1ALDH1A1
SCHEMBL12904375 0.86 HSD17B10 (0.54) HSD17B10STING1GAANPSR1ALDH1A1
SCHEMBL11103793 0.85 CYP3A4 (0.55) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL12904374 0.85 HSD17B10 (0.50) HSD17B10STING1GAANPSR1ALDH1A1
SCHEMBL11741944 0.84 SRC (0.52) HSD17B10STING1TDP1MAPTSRC
SCHEMBL11289422 0.84 ALDH1A1 (0.45) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL2310865 0.84 STING1 (0.54) HSD17B10STING1GAAALDH1A1TSHR
SCHEMBL7813393 0.82 POLB (0.51) NPSR1
SCHEMBL151820 0.81 HSD17B10 (0.57) HSD17B10GAANPSR1ALDH1A1TSHR

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-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP 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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 HSD17B10 373/4885STING1 2979/4885GAA 4410/4885

“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.