SCHEMBL3936634

SCHEMBL3936634

CC(C)(C(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
PTGS1 P23219 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
PPARA Q07869 1/20 0.45
S1PR2 O95136 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAOB P27338 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9719786 0.86 AKR1C3 (0.51) AKR1C3PTGS1NPC1RAB9APOLB
SCHEMBL14280732 0.86 AKR1C3 (0.48) AKR1C3NPC1RAB9APOLBCYP2C9
SCHEMBL5105721 0.85 KCNN4 (0.50) AKR1C3PTGS1NPC1RAB9APOLB
SCHEMBL11665378 0.85 AKR1C3 (0.50) AKR1C3PTGS1NPC1RAB9APOLB
SCHEMBL7319456 0.85 AKR1C3 (0.50) AKR1C3PTGS1NPC1RAB9APOLB
SCHEMBL1356271 0.84 AKR1C3 (0.52) AKR1C3NPC1RAB9APOLBCYP4F2
SCHEMBL3184688 0.84 PPARA (0.53) NPC1RAB9APOLBCYP2C9PPARA
SCHEMBL10697799 0.83 PKM (0.56) AKR1C3PTGS1NPC1RAB9APOLB
SCHEMBL29386858 0.82 HDAC8 (0.51) AKR1C3NPC1RAB9APOLBCYP2C9
SCHEMBL15577951 0.82 F10 (0.49) AKR1C3NPC1RAB9APOLBCYP2C9

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-2046119-A2 TREATMENT OF PSYCHIATRIC DISORDERS Myriad Genetics, Inc. (US) 2009-04-15 EP claimed
WO-2008036733-A2 METHODS FOR TREATMENT OF VESICLE TRANSPORT DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-27 WO claimed
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2008-02-07 US claimed
WO-2008006099-A2 TREATMENT OF PSYCHIATRIC DISORDERS MYRIAD GENETICS, INC. (US) 2008-01-10 WO claimed
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders MYRIAD GENETICS, INCORPORATED (US) 2007-10-04 US claimed
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-04-05 US claimed
US-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MYRIAD GENETICS, INCORPORATED (US) 2007-01-18 US claimed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
WO-2006020853-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO claimed
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 US disclosed
WO-2014015341-A2 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION VANDERBILT UNIVERSITY (US) 2014-01-23 WO disclosed
EP-2046119-A2 TREATMENT OF PSYCHIATRIC DISORDERS Myriad Genetics, Inc. (US) 2009-04-15 EP disclosed
WO-2008036733-A2 METHODS FOR TREATMENT OF VESICLE TRANSPORT DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-27 WO disclosed
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
US-20050288375-A1 Method and composition for treating neurodegenerative disorders MYRIAD GENETICS, INCORPORATED (US) 2005-12-29 US disclosed
EP-1587798-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS Merck & Co., Inc. (US) 2005-10-26 EP disclosed
WO-2004064771-A2 GEMINALLY DI-SUBSTITUTED NSAID DERIVATIVES AS ABETA 42 LOWERING AGENTS MERCK & CO., INC. (US) 2004-08-05 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 (8 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-20070015832-A1 Methods of treating overactive bladder and urinary incontinence MME, AVPR1B, AVPR2 AKR1C3 813/4885PTGS1 310/4885NPC1 4550/4885
US-20070232672-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 454/4885PTGS1 2521/4885NPC1 91/4885
US-20070232589-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 484/4885PTGS1 2642/4885NPC1 95/4885
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH AKR1C3 729/4885PTGS1 24/4885NPC1 3898/4885
US-20070078114-A1 COMBINATION THERAPY FOR ALZHEIMER'S DISEASE AND OTHER DISEASES PSEN2, APP, PSEN1 AKR1C3 1915/4885PTGS1 1251/4885NPC1 672/4885
US-20070232656-A1 Pharmaceutical Composition And Method For Treating Neurodegenerative Disorders ACHE, BCHE, CHAT AKR1C3 454/4885PTGS1 2521/4885NPC1 91/4885
US-20080033045-A1 TREATMENT OF PSYCHIATRIC DISORDERS SLC6A3, SLC6A2, FKBP5 AKR1C3 2969/4885PTGS1 4024/4885NPC1 1304/4885
US-20050288375-A1 Method and composition for treating neurodegenerative disorders GRIN2A, GRIN2B, GRIN3A AKR1C3 160/4885PTGS1 198/4885NPC1 310/4885

“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.