Lupinifolinol

Lupinifolinol

SCHEMBL6668491

CC(C)=CCc1c2c(c(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3=O)C=CC(C)(C)O2

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.50
▸ CYP3A4 P08684 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ USP2 O75604 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ALOX15 P16050 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ HDAC3 O15379 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HDAC7 Q8WUI4 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50

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
Lupinifolin SCHEMBL6207285 0.83 MAPT (0.68) PTPN1MEN1MAPTKMT2APOLB
SCHEMBL29442951 0.77 ODC1 (0.65) PTPN1CYP3A4MEN1MAPTKMT2A
SCHEMBL16259003 0.77 ODC1 (0.54) PTPN1CYP3A4MEN1MAPTKMT2A
Neophellamuretin SCHEMBL30766255 0.76 ABCG2 (0.66) PTPN1CYP3A4MEN1MAPTKMT2A
Neophellamuretin SCHEMBL27013455 0.76 ABCG2 (0.66) PTPN1CYP3A4MEN1MAPTKMT2A
Flemichin D SCHEMBL31753877 0.74 IDO1 (0.70) PTPN1MEN1MAPTKMT2APOLB
Minimiflorin SCHEMBL5461834 0.74 ODC1 (0.60) PTPN1CYP3A4MEN1MAPTKMT2A
SCHEMBL31345893 0.72 CYP3A4 (0.56) PTPN1CYP3A4MEN1MAPTKMT2A
SCHEMBL27013475 0.72 ESR1 (0.68) CYP3A4MAPTKMT2AMAPK1NPSR1
SCHEMBL27006405 0.72 ESR1 (0.68) CYP3A4MAPTKMT2AMAPK1NPSR1

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
WO-2004028548-A2 INHIBITORS OF THE NITRIX OXIDE SYNTHASE III (NOS III) AS NEUROPROTECTIVE AGENTS CARBOMER, INC. (US) 2004-04-08 — — WO claimed
US-20040063612-A1 Neuroprotective agents CARBOMER, INC. 2004-04-01 — — US claimed
WO-2004028548-A2 INHIBITORS OF THE NITRIX OXIDE SYNTHASE III (NOS III) AS NEUROPROTECTIVE AGENTS CARBOMER, INC. (US) 2004-04-08 — — WO disclosed
US-20040063612-A1 Neuroprotective agents CARBOMER, INC. 2004-04-01 — — 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-20040063612-A1 Neuroprotective agents GAP43, NLN, NOS3 PTPN1 4267/4885CYP3A4 3095/4885MEN1 3927/4885

“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.

Send feedback