Lupeol

Lupeol

SCHEMBL7742344

C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 1.00
TOP2A P11388 2/20 1.00
CES2 O00748 1/20 1.00
CES1 P23141 1/20 1.00
PTGES O14684 2/20 0.76
USP2 O75604 2/20 0.74
LMNA P02545 2/20 0.74
HIF1A Q16665 2/20 0.74
NT5E P21589 2/20 0.74
RELA Q04206 1/20 0.74
RORC P51449 5/20 0.72
ALB P02768 3/20 0.72
GPBAR1 Q8TDU6 2/20 0.72
AKR1B10 O60218 1/20 0.72
POLB P06746 1/20 0.72
GLI1 P08151 1/20 0.72
AKR1B1 P15121 1/20 0.72
DPP4 P27487 1/20 0.72
SAE1 Q9UBE0 1/20 0.72
UBA2 Q9UBT2 1/20 0.72

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
Lupeol SCHEMBL14067725 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL148519 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL18100186 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL17036708 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL10061311 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL561024 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL148518 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL21927816 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL21847985 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL15263404 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110236513-A1 SUBSTANCES CAPABLE OF POTENTIATING LAMININ 5 PRODUCTIVITY IN EPIDERMAL CELLS AND THEIR USE TAKADA KEIKO 2011-09-29 US disclosed
US-20070254052-A1 Substances capable of potentiating laminin 5 productivity in epidermal cells and their use TAKADA KEIKO 2007-11-01 US disclosed
US-20070254052-A1 Substances capable of potentiating laminin 5 productivity in epidermal cells and their use TAKADA KEIKO 2007-11-01 US disclosed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US disclosed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 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-20070254052-A1 Substances capable of potentiating laminin 5 productivity in epidermal cells and their use CUTA, GLA, ANXA5 PTPN1 4506/4885TOP2A 4692/4885CES2 3421/4885
US-20110236513-A1 SUBSTANCES CAPABLE OF POTENTIATING LAMININ 5 PRODUCTIVITY IN EPIDERMAL CELLS AND THEIR USE CUTA, GLA, ANXA5 PTPN1 4506/4885TOP2A 4692/4885CES2 3421/4885

“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.