Lupeol

Lupeol

SCHEMBL10061311

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 SCHEMBL561024 1.00 PTPN1 (1.00) PTPN1TOP2ACES2CES1PTGES
Lupeol SCHEMBL7742344 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281702-A1 METHOD OF ISOLATING ANTI-VIRAL INGREDIENTS FROM BAPHICACANTHUS CUSIA, COMPOSITIONS COMPRISING THEM AND THEIR MEDICAL USE MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (MO) 2017-10-05 US disclosed
US-20170281702-A1 METHOD OF ISOLATING ANTI-VIRAL INGREDIENTS FROM BAPHICACANTHUS CUSIA, COMPOSITIONS COMPRISING THEM AND THEIR MEDICAL USE MACAU UNIVERSITY OF SCIENCE AND TECHNOLOGY (MO) 2017-10-05 US disclosed
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 US disclosed
US-8747815-B2 Use of a cosmetic of pharmaceutical composition, comprising a lupeol-rich extract as an active ingredient for stimulating the synthesis of heat shock proteins LABORATOIRES EXPANSCIENCE (FR) 2014-06-10 US disclosed
US-8747815-B2 Use of a cosmetic of pharmaceutical composition, comprising a lupeol-rich extract as an active ingredient for stimulating the synthesis of heat shock proteins LABORATOIRES EXPANSCIENCE (FR) 2014-06-10 US disclosed
US-8551496-B2 Boswellia low polar gum resin extract and its synergistic compositions LAILA NUTRACEUTICALS (IN) 2013-10-08 US disclosed
US-20130084348-A1 COMPOSITIONS COMPRISING NON-ACIDIC BOSWELLIA OIL FRACTION AS A BIO-ENHANCER FOR ENHANCING BIOAVAILABILITY OF BIOLOGICAL AGENTS LAILA NUTRACEUTICALS (IN) 2013-04-04 US disclosed
EP-2088152-B1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INST NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2012-02-01 EP disclosed
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Myriad Pharmaceuticals, Inc.. (US) 2010-09-23 US disclosed
US-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT INSTITUT NEFTEKHIMII I KATALIZA ROSSIISKOI AKADEMII NAUK (RU) 2010-04-08 US disclosed
US-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (US) 2009-09-03 US disclosed
EP-2088152-A1 N'-{N-[3-OXO-LUPEN-28-OYL]-9-AMINONONANOYL}-3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT Institut Neftekhimii I Kataliza Rossiiskoi Akademii Nauk (RU) 2009-08-12 EP disclosed
US-20090136566-A1 THERAPEUTIC TRITERPENOIDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-05-28 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 (6 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-20090136566-A1 THERAPEUTIC TRITERPENOIDS EBP, PGGT1B, LIPC PTPN1 3600/4885TOP2A 1470/4885CES2 507/4885
US-20100240630-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF HAVCR2, FURIN, SARS1 PTPN1 3317/4885TOP2A 3702/4885CES2 71/4885
US-20170281702-A1 METHOD OF ISOLATING ANTI-VIRAL INGREDIENTS FROM BAPHICACANTHUS CUSIA, COMPOSITIONS COMPRISING THEM AND THEIR MEDICAL USE LSS, UGT1A7, LARP7 PTPN1 1727/4885TOP2A 353/4885CES2 27/4885
US-20100087539-A1 N'--3-AMINO-3-PHENYLPROPEONIC ACID AND THE PHARMACEUTICALLY ACCEPTABLE DERIVATIVES THEREOF, A METHOD FOR THE PRODUCTION AND THE USE THEREOF IN THE FORM OF A MEDICINAL AGENT GART, DNPEP, IL4I1 PTPN1 708/4885TOP2A 3234/4885CES2 1217/4885
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof NR3C1, NR5A1, NR3C2 PTPN1 855/4885TOP2A 982/4885CES2 2448/4885
US-20090221690-A1 Pharmaceutical Composition for the Prevention/Treatment of Bone Disorders and a Process for the Preparation Thereof SOST, BPGM, PTMS PTPN1 2716/4885TOP2A 3703/4885CES2 4258/4885

“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.