SCHEMBL16259003

SCHEMBL16259003

CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OCC(c1ccc(O)cc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 3/20 0.54
PTPN1 P18031 6/20 0.51
CYP3A4 P08684 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
USP2 O75604 3/20 0.51
ALDH1A1 P00352 3/20 0.51
ALOX15 P16050 3/20 0.51
POLB P06746 2/20 0.51
HDAC3 O15379 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51

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
SCHEMBL18906968 0.87 ODC1 (0.70) ODC1PTPN1CYP3A4MEN1MAPT
SCHEMBL24305496 0.83 MAPT (0.60) PTPN1MEN1MAPTKMT2APOLB
SCHEMBL18906966 0.79 ODC1 (0.62) ODC1PTPN1CYP3A4MEN1MAPT
Lupinifolinol SCHEMBL6668491 0.77 PTPN1 (0.50) ODC1PTPN1CYP3A4MEN1MAPT
Lupinifolin SCHEMBL6207285 0.74 MAPT (0.68) ODC1PTPN1MEN1MAPTKMT2A
SCHEMBL13360711 0.74 HSP90AA1 (0.70) PTPN1CYP3A4MEN1MAPTKMT2A
SCHEMBL31345893 0.74 CYP3A4 (0.56) ODC1PTPN1CYP3A4MEN1MAPT
SCHEMBL13360710 0.74 PTPN1 (0.74) PTPN1MEN1MAPTKMT2APOLB
SCHEMBL13360712 0.72 HSP90AA1 (0.58) PTPN1CYP3A4MEN1MAPTKMT2A
Eriosemaone A SCHEMBL31753876 0.72 IDO1 (0.73) ODC1PTPN1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9956199-B2 Chromane-like cyclic prenylflavonoids for the medical intervention in neurological disorders Aigner, Ludwig (DE) 2018-05-01 US disclosed
US-9956199-B2 Chromane-like cyclic prenylflavonoids for the medical intervention in neurological disorders Aigner, Ludwig (DE) 2018-05-01 US disclosed
US-20170128411-A1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS Aigner, Ludwig (AT) 2017-05-11 US disclosed
US-20170128411-A1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS Aigner, Ludwig (AT) 2017-05-11 US disclosed
US-9527860-B2 Chromane-like cyclic prenylflavonoids for the medical intervention in neurological disorders Aigner, Ludwig (AT) 2016-12-27 US disclosed
US-9527860-B2 Chromane-like cyclic prenylflavonoids for the medical intervention in neurological disorders Aigner, Ludwig (AT) 2016-12-27 US disclosed
US-20140349919-A1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS COUILLARD-DESPRES, Sébastien (AT) 2014-11-27 US disclosed
US-20140349919-A1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS COUILLARD-DESPRES, Sébastien (AT) 2014-11-27 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 (2 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-20170128411-A1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS BDNF, MAP2, DCX ODC1 4119/4885PTPN1 3650/4885CYP3A4 4360/4885
US-20140349919-A1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS BDNF, MAP2, DCX ODC1 4119/4885PTPN1 3650/4885CYP3A4 4360/4885

“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.