Dihydrobetulonic Acid

Dihydrobetulonic Acid

SCHEMBL10061167

CC(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 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 19/20 0.71
▸ LMNA P02545 1/20 0.71
▸ NT5E P21589 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ PRKCD Q05655 1/20 0.69

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
Dihydrobetulonic Acid SCHEMBL3276418 1.00 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Dihydrobetulonic Acid SCHEMBL13908784 1.00 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Dihydrobetulonic Acid SCHEMBL14414141 1.00 GPBAR1 (0.71) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL10061168 0.91 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL16511700 0.91 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL13956965 0.90 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2PRKCD
Methyl Dihydrobetulonate SCHEMBL13747683 0.89 GPBAR1 (0.58) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL13301977 0.89 GPBAR1 (0.65) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL9891261 0.89 GPBAR1 (0.57) GPBAR1LMNANT5ESMN1; SMN2PRKCD
SCHEMBL14134447 0.89 GPBAR1 (0.65) GPBAR1LMNANT5ESMN1; SMN2PRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8022055-B2 Betulinic acid derivatives DABUR PHARMA LIMITED (IN) 2011-09-20 — — US disclosed
US-8022055-B2 Betulinic acid derivatives DABUR PHARMA LIMITED (IN) 2011-09-20 — — US disclosed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 — — US disclosed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 — — US disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 — — US disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 — — US disclosed
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-29 — — 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-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
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-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
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL 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-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS 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 (5 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-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB GPBAR1 764/4885LMNA 3692/4885NT5E 1111/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 GPBAR1 1652/4885LMNA 3874/4885NT5E 1606/4885
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS BET1, BECN1, PGGT1B GPBAR1 1716/4885LMNA 990/4885NT5E 2484/4885

“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