SCHEMBL18324973

SCHEMBL18324973

COc1ccc(CC(=O)c2c(O)cc(CO)cc2OC)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
CYP19A1 P11511 1/20 0.54
APP P05067 1/20 0.49
TSHR P16473 2/20 0.49
NFKB1 P19838 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48

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
SCHEMBL18324967 0.92 GAA (0.60) GAAMEN1KMT2AMAPTHPGD
SCHEMBL18325958 0.86 KMT2A (0.64) GAAMEN1KMT2AMAPTHPGD
SCHEMBL3965268 0.84 GAA (0.83) GAAMEN1KMT2AMAPTHPGD
SCHEMBL29405348 0.78 CYP1A2 (0.65) GAAMEN1KMT2ATSHRNFKB1
SCHEMBL347472 0.78 CYP1A2 (0.65) GAAMEN1KMT2ATSHRNFKB1
SCHEMBL16389390 0.78 GAA (0.64) GAAMEN1KMT2AMAPTHPGD
SCHEMBL7029677 0.77 CYP3A4 (0.62) GAAMEN1KMT2AMAPTHPGD
SCHEMBL29699330 0.76 GAA (1.00) GAAMEN1KMT2AMAPTHPGD
SCHEMBL347877 0.76 GAA (1.00) GAAMEN1KMT2AMAPTHPGD
SCHEMBL30388881 0.76 GAA (0.75) GAAMEN1KMT2AMAPTHPGD

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 387/4885KMT2A 648/4885

“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.