Betunolic Acid

Betunolic Acid

SCHEMBL10062172

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=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
▸ GPBAR1 Q8TDU6 10/20 1.00
▸ LMNA P02545 2/20 1.00
▸ NT5E P21589 2/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ PTPN1 P18031 2/20 0.69
▸ GLI1 P08151 2/20 0.69
▸ USP2 O75604 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ AKR1B10 O60218 1/20 0.69
▸ ALB P02768 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ AKR1B1 P15121 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ RORC P51449 1/20 0.69
▸ SAE1 Q9UBE0 1/20 0.69
▸ UBA2 Q9UBT2 1/20 0.69
▸ RELA Q04206 1/20 0.67
▸ CES2 O00748 2/20 0.66
▸ CES1 P23141 2/20 0.66
▸ F3 P13726 1/20 0.66

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
Betunolic Acid SCHEMBL19147039 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13098064 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14436770 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14111993 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13573800 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13908772 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14397742 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL14447472 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL13814592 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1
Betunolic Acid SCHEMBL8283296 1.00 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2PTPN1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252155-B1 METHOD FOR MINIMIZING THE CYTOTOXICITY OF THE EFFECTIVE AGENT INHIBITING THE GROWTH OF MICRO-ORGANISMS AND FOR MAXIMIZING THE EFFECT OY GRANULA AB LTD (FI) 2016-01-27 — — EP disclosed
EP-2252154-B1 METHOD FOR MINIMIZING THE CYTOTOXICITY OF THE EFFECTIVE AGENT IN A COMPOSITION THAT IS ADMINISTERED TO A MAMMAL OR GETS INTO CONTACT WITH A MAMMAL OY GRANULA AB LTD (FI) 2016-01-27 — — EP disclosed
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 — — US disclosed
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 — — US disclosed
WO-2014071506-A1 COMPOUNDS FOR REDUCING GLUCOCORTICOIDS, AND METHODS OF TREATMENT THEREOF BIONICHE LIFE SCIENCES INC. (CA) 2014-05-15 — — WO disclosed
US-8496974-B2 Method for preparing a composition comprising a compound mixture and a carrier agent OY GRANULA AB LTD (FI) 2013-07-30 — — US disclosed
US-8496974-B2 Method for preparing a composition comprising a compound mixture and a carrier agent OY GRANULA AB LTD (FI) 2013-07-30 — — US disclosed
US-8431170-B2 Antimicrobial composition with low cytotoxicity OY GRANULA AB LTD. (FI) 2013-04-30 — — US disclosed
US-8431170-B2 Antimicrobial composition with low cytotoxicity OY GRANULA AB LTD. (FI) 2013-04-30 — — US disclosed
WO-2013038314-A1 METHOD FOR PREPARATION OF BETULINIC ACID STORA ENSO OYJ (FI) 2013-03-21 — — WO 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-20080293682-A1 Novel Betulinic Acid Derivatives DABUR PHARMA LIMITED (IN) 2008-11-27 — — US disclosed
US-20080293682-A1 Novel Betulinic Acid Derivatives DABUR PHARMA LIMITED (IN) 2008-11-27 — — US disclosed
US-7414042-B2 Method and composition for selectively inhibiting melanoma THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-08-19 — — US disclosed
US-7414042-B2 Method and composition for selectively inhibiting melanoma THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-08-19 — — US disclosed
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141389-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
WO-2007141383-A1 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO 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 (3 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-20080293682-A1 Novel Betulinic Acid Derivatives BET1, PGGT1B, RABGGTB GPBAR1 84/4885LMNA 1944/4885NT5E 2619/4885
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 GPBAR1 516/4885LMNA 2743/4885NT5E 551/4885
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof NR3C1, NR5A1, NR3C2 GPBAR1 230/4885LMNA 3994/4885NT5E 3317/4885

“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.

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