SCHEMBL18324967

SCHEMBL18324967

COc1cc(CC(=O)c2c(O)cc(CO)cc2OC)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 2/20 0.60
ALDH1A1 P00352 1/20 0.60
NFKB1 P19838 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
APP P05067 1/20 0.49
ALOX5 P09917 1/20 0.49
OR51E2 Q9H255 1/20 0.49
MMP1 P03956 1/20 0.48
CYP3A4 P08684 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAPK1 P28482 1/20 0.48
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47

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
SCHEMBL18324973 0.92 GAA (0.64) GAAMEN1MAPTHPGDKMT2A
SCHEMBL16389390 0.86 GAA (0.64) GAAMEN1MAPTHPGDKMT2A
SCHEMBL29535946 0.84 GAA (0.83) GAAMEN1MAPTHPGDKMT2A
SCHEMBL1245802 0.84 GAA (0.83) GAAMEN1MAPTHPGDKMT2A
Vanillyl Alcohol SCHEMBL29408335 0.78 TAAR1 (0.67) GAATSHRALDH1A1NFKB1TDP1
Vanillyl Alcohol SCHEMBL27774687 0.78 TAAR1 (0.67) GAATSHRALDH1A1NFKB1TDP1
Vanillyl Alcohol SCHEMBL62348 0.78 TAAR1 (0.67) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL28447398 0.78 GAA (0.69) GAAMEN1MAPTHPGDKMT2A
SCHEMBL18325958 0.78 KMT2A (0.64) GAAMEN1MAPTHPGDKMT2A
SCHEMBL7029677 0.77 CYP3A4 (0.62) GAAMEN1MAPTHPGDKMT2A

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-20160368886-A1 MULTITARGET HEDGEHOG PATHWAY INHIBITORS AND USES THEREOF UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2016-12-22 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-20160368886-A1 MULTITARGET HEDGEHOG PATHWAY INHIBITORS AND USES THEREOF SHH, GLI1, SMO GAA 1875/4885MEN1 387/4885MAPT 3353/4885

“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.