SCHEMBL3701446

SCHEMBL3701446

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.53
HSP90AA1 P07900 4/20 0.51
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL3706391 0.88 HIF1A (0.49) HIF1AHSP90AA1KDM4ECA12CA1
SCHEMBL3705603 0.88 HSP90AA1 (0.48) HIF1AHSP90AA1NFKB1NFKB2RELA
SCHEMBL31376243 0.86 HSP90AA1 (0.51) HIF1AHSP90AA1NFKB1NFKB2RELA
SCHEMBL30040796 0.77 HSP90AA1 (0.50) HIF1AHSP90AA1NFKB1NFKB2RELA
SCHEMBL16244979 0.77 HSP90AA1 (0.50) HIF1AHSP90AA1NFKB1NFKB2RELA
SCHEMBL30576685 0.76 DYRK3 (0.48) HIF1AHSP90AA1KDM4ECA12CA1
SCHEMBL29073790 0.76 DYRK3 (0.48) HIF1AHSP90AA1KDM4ECA12CA1
Praecansone B SCHEMBL31237500 0.76 NFKB1 (0.51) HIF1AHSP90AA1NFKB1NFKB2RELA
SCHEMBL31376180 0.76 NFKB1 (0.68) HIF1ANFKB1NFKB2RELAKDM4E
SCHEMBL31376248 0.75 NFKB1 (0.70) HIF1ANFKB1NFKB2RELA

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 HIF1A 1609/4885HSP90AA1 3852/4885NFKB1 2583/4885

“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.