SCHEMBL312917

SCHEMBL312917

COc1ccc(C(=O)CC(=O)c2ccccc2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 1.00
KMT2A Q03164 10/20 0.69
MEN1 O00255 9/20 0.69
MAPT P10636 5/20 0.69
RAB9A P51151 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
ALOX12 P18054 4/20 0.69
HPGD P15428 4/20 0.69
LMNA P02545 4/20 0.69
ALDH1A1 P00352 3/20 0.69
HSD17B10 Q99714 3/20 0.69
KDM4E B2RXH2 3/20 0.69
TP53 P04637 2/20 0.69
GAA P10253 1/20 0.68
HTT P42858 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ALOX15 P16050 3/20 0.62
USP2 O75604 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
APEX1 P27695 1/20 0.56

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
SCHEMBL9003760 0.87 NPC1 (0.76) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL2301276 0.85 NPC1 (0.74) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL25327546 0.84 MEN1 (0.84) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL10719391 0.84 NPC1 (0.73) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL3385712 0.84 NPC1 (0.73) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL4197234 0.83 NPC1 (0.71) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL747850 0.83 NPC1 (0.71) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL312323 0.83 NPC1 (0.71) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL153386 0.83 ALDH1A1 (0.76) NPC1KMT2AMAPTLMNAALDH1A1
Avobenzone SCHEMBL6129882 0.83 LMNA (0.71) NPC1KMT2AMEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed
US-20230241078-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2023-08-03 US disclosed
US-20200246352-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2020-08-06 US disclosed
EP-3684352-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM Pharma Holding BV (NL) 2020-07-29 EP disclosed
CN-111343977-A Vanadyl and vanadate bases for reducing stress-induced metabolic disorders CFM医药控股有限公司 2020-06-26 CN disclosed
WO-2019059770-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM PHARMA HOLDING B.V. (NL) 2019-03-28 WO disclosed
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
EP-1838296-B1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP (CA) 2012-08-08 EP disclosed
US-8093273-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-01-10 US disclosed
US-6413998-B1 BONE REGENERATION OSTEOSCREEN, INC. 2002-07-02 US disclosed
US-6008208-A Compositions and methods for treating bone deficit conditions OSTEOSCREEN, INC. (US) 1999-12-28 US disclosed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US disclosed
US-5846998-A Use of phosphotyrosine phosphatase inhibitors or phosphotyrosine kinase activators for controlling cellular proliferation BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-08 US disclosed
US-5693627-A TREATING DISEASES SUCH AS LEUKEMIAS AND LYMPHOMAS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-12-02 US disclosed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed
EP-0735880-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION Bristol-Myers Squibb Company (US) 1996-10-09 EP disclosed
WO-1995020390-A1 USE OF VANADIUM MOLYBDENUM OR TUNGSTEN COMPLEXES FOR CONTROLLING CELLULAR PROLIFERATION BRISTOL-MYERS SQUIBB COMPANY (US) 1995-08-03 WO disclosed