SCHEMBL195013

SCHEMBL195013

Bc1c(CC(=O)O)ccc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
GAA P10253 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA5A P35218 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ATM Q13315 1/20 0.40
SELP P16109 1/20 0.39
CYP2C19 P33261 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
SCHEMBL151820 0.84 HSD17B10 (0.57) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL30969123 0.84 HSD17B10 (0.57) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL9786071 0.81 HSD17B10 (0.54) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL10622242 0.80 HSD17B10 (0.53) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL10618516 0.80 HSD17B10 (0.53) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL149945 0.80 HSD17B10 (0.53) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL9786067 0.79 HSD17B10 (0.51) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL5146259 0.78 HSD17B10 (0.54) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL4944820 0.77 HSD17B10 (0.57) HSD17B10GAANPSR1TDP1MAPT
SCHEMBL991380 0.76 KMT2A (0.54) HSD17B10TDP1KDM4EMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L HSD17B10 3200/4885GAA 1316/4885NPSR1 2510/4885

“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.