SCHEMBL3705603

SCHEMBL3705603

COc1cc2c(c(O)c1C(=O)C(C)C)C=CC(C)(C)O2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.48
PDE4D Q08499 1/20 0.47
HIF1A Q16665 4/20 0.47
ODC1 P11926 3/20 0.46
HIF1AN Q9NWT6 1/20 0.46
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 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
SCHEMBL3701446 0.88 HIF1A (0.53) HSP90AA1PDE4DHIF1ANFKB1NFKB2
SCHEMBL16244979 0.87 HSP90AA1 (0.50) HSP90AA1PDE4DHIF1AODC1HIF1AN
SCHEMBL30040796 0.87 HSP90AA1 (0.50) HSP90AA1PDE4DHIF1AODC1HIF1AN
SCHEMBL19221618 0.82 HSP90AA1 (0.47) HSP90AA1PDE4DHIF1AODC1HIF1AN
SCHEMBL3706391 0.82 HIF1A (0.49) HSP90AA1HIF1AODC1CYP3A4
SCHEMBL31376226 0.78 ODC1 (0.60) ODC1HIF1ANNFKB1NFKB2RELA
SCHEMBL31376243 0.77 HSP90AA1 (0.51) HSP90AA1PDE4DHIF1ANFKB1NFKB2
SCHEMBL21436759 0.76 ODC1 (0.51) HSP90AA1PDE4DHIF1AODC1HIF1AN
SCHEMBL29466866 0.76 ODC1 (0.51) HSP90AA1PDE4DHIF1AODC1HIF1AN
SCHEMBL18597480 0.76 HIF1A (0.53) HSP90AA1HIF1AODC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190187-A1 FORMULATION FOR ENHANCED DELIVERY OF PHENETHYLAMINE KNELLER BRUCE W 2007-08-16 US claimed
WO-2010092162-A1 NEUROACTIVE PLANT EXTRACT FROM HYPERICUM POLYANTHEMUM UNIVERSITE DE ROUEN (FR) 2010-08-19 WO disclosed
WO-2010092162-A1 NEUROACTIVE PLANT EXTRACT FROM HYPERICUM POLYANTHEMUM UNIVERSITE DE ROUEN (FR) 2010-08-19 WO disclosed
US-20070190187-A1 FORMULATION FOR ENHANCED DELIVERY OF PHENETHYLAMINE KNELLER BRUCE W 2007-08-16 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-20070190187-A1 FORMULATION FOR ENHANCED DELIVERY OF PHENETHYLAMINE MAOB, PNMT, MAOA HSP90AA1 3852/4885PDE4D 423/4885HIF1A 1609/4885

“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.