SCHEMBL7093941

SCHEMBL7093941

CCOC(=O)c1ccc(OC(C)C)c(OCC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 2/20 0.62
MAPK1 P28482 2/20 0.62
HSD17B2 P37059 1/20 0.52
TSHR P16473 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.46
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL7684319 0.88 MAPT (0.77) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL1011945 0.88 HSD17B2 (0.61) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL23876967 0.86 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL21079240 0.86 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL7089045 0.85 TSHR (0.65) ALDH1A1MAPTMAPK1TSHRCA12
SCHEMBL16605589 0.85 MAPT (0.57) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL6066522 0.84 CA12 (0.64) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL9005554 0.84 HSD17B2 (0.70) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL3201517 0.82 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1HSD17B2TSHR
SCHEMBL16605593 0.82 MAPT (0.55) ALDH1A1MAPTMAPK1HSD17B2TSHR

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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 ALDH1A1 1023/4885MAPT 3795/4885MAPK1 559/4885

“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.