SCHEMBL408434

SCHEMBL408434

C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@H]12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.72
POLB P06746 5/20 0.72
PTPN2 P17706 5/20 0.72
AKR1B10 O60218 3/20 0.72
PTPRF P10586 3/20 0.72
CES1 P23141 3/20 0.72
ACP1 P24666 3/20 0.72
PTPN6 P29350 3/20 0.72
PTGS2 P35354 3/20 0.72
RELA Q04206 3/20 0.72
GPBAR1 Q8TDU6 3/20 0.72
USP7 Q93009 3/20 0.72
USP2 O75604 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
RECQL P46063 2/20 0.72
CETP P11597 2/20 0.72
SENP1 Q9P0U3 2/20 0.72
CTSD P07339 1/20 0.72
CYP19A1 P11511 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
SCHEMBL5713288 0.93 CETP (0.84) PTPN1POLBPTPN2AKR1B10PTPRF
Oleanolic_Acid SCHEMBL30574668 0.92 PTPN1 (0.86) PTPN1POLBPTPN2AKR1B10PTPRF
Oleanolic_Acid SCHEMBL408433 0.92 PTPN1 (0.86) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL18821200 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL16994210 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL23314191 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL13395361 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL21819718 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL12300180 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF
Ursolic Acid SCHEMBL18428537 0.85 PTPN1 (1.00) PTPN1POLBPTPN2AKR1B10PTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9327006-B2 Extraction of B-vitamins from plant matter RAJENDRAN RAMASWAMY (IN) 2016-05-03 US claimed
CN-108802217-B Quality control and evaluation method of Chinese herbal compound 南京中医药大学 2021-09-14 CN disclosed
CN-112972531-A Malus spectabilis tea water extract and application thereof 三峡大学 2021-06-18 CN disclosed
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 EP disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 WO disclosed
EP-2175871-B1 A SYNERGISTIC HERBAL COMPOSITION FOR TREATMENT OF RHEUMATIC AND MUSCULO-SKELETAL DISORDERS (RMSDS) COUNCIL SCIENT IND RES (IN) 2016-08-31 EP disclosed
US-20120021077-A1 SYNERGISTIC HERBAL COMPOSITION FOR TREATMENT OF RHEUMATIC AND MUSCULO-SKELETAL DISORDERS (RMSDS) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 US disclosed
WO-2010132776-A1 OREGANO AND MINT ANTI-INFLAMMATORY COMPOSITIONS AND METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-18 WO disclosed
EP-2175871-A2 A SYNERGISTIC HERBAL COMPOSITION FOR TREATMENT OF RHEUMATIC AND MUSCULO-SKELETAL DISORDERS (RMSDS) Council of Scientific&Industrial Research (IN) 2010-04-21 EP disclosed
WO-2009146124-A1 NATURAL ANTIGINGIVITIS AND ANTIPLAQUE MOUTH RINSES, AND METHODS OF USE THEREOF THE NATURAL DENTIST (US) 2009-12-03 WO disclosed
WO-2009010992-A2 A SYNERGISTIC HERBAL COMPOSITION FOR TREATMENT OF RHEUMATIC AND MUSCULO-SKELETAL DISORDERS (RMSDS) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-01-22 WO disclosed
EP-1383386-B1 ANTI-INFLAMMATORY HERBAL COMPOSITION NEW CHAPTER INC (US) 2008-08-27 EP disclosed
EP-1383386-A4 IMPROVED ANTI-INFLAMMATORY HERBAL COMPOSITION AND METHOD OF USE NEW CHAPTER INC (US) 2005-09-07 EP disclosed
EP-1383386-A1 IMPROVED ANTI-INFLAMMATORY HERBAL COMPOSITION AND METHOD OF USE New Chapter, Inc. (US) 2004-01-28 EP disclosed
WO-2002085394-A1 THE PROCESS OF PREPARING THE TOPICAL ANTI-INFLAMMATORY/ANALGESIC PREPARATION KHAMAR BAKULESH MAFATLAL (IN) 2002-10-31 WO disclosed
WO-2002080682-A1 IMPROVED ANTI-INFLAMMATORY HERBAL COMPOSITION AND METHOD OF USE NEW CHAPTER, INC. (US) 2002-10-17 WO disclosed
US-6391346-B1 COMPOSITION COMPRISING POST-SUPERCRITICAL CARBON DIOXIDE HYDROALCOHOLIC EXTRACT OF GINGER; SUPERCRITICAL CARBON DIOXIDE EXTRACTS OF HOPS, CHAMOMILE, GINGER, VALERIAN, MELISSA; HYDROALCOHOLIC EXTRACTS OF HOLY BASIL, TURMERIC, SCUTELLARIA NEW CHAPTER, INC. 2002-05-21 US disclosed
US-6387416-B1 POST-SUPERCRITICAL CARBON DIOXIDE ALCOHOLIC EXTRACT OF GINGER NEW CHAPTER, INC. 2002-05-14 US disclosed
US-6264995-B1 SUPERCRITICAL EXTRACTION WITH CARBON DIOXIDE NEW CHAPTER, INC. 2001-07-24 US disclosed
US-4578181-A Hydrothermal conversion of heavy oils and residua with highly dispersed catalysts MOBIL OIL CORPORATION (US) 1986-03-25 US disclosed