SCHEMBL3571506

SCHEMBL3571506

C#Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.57
BCHE P06276 3/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
LCK P06239 1/20 0.54
MAOA P21397 1/20 0.53
NR4A2 P43354 1/20 0.53
ALOX5 P09917 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FFAR1 O14842 1/20 0.49
APP P05067 1/20 0.49

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
SCHEMBL28385012 0.86 MEN1 (0.54) MAOBBCHELCKMAOANR4A2
SCHEMBL9189685 0.84 NPC1 (0.57) MAOBBCHEAPP
SCHEMBL9189089 0.84 TP53 (0.47) MAOBLCKLMNAAPP
SCHEMBL15690119 0.83 NPC1 (0.51) MAOBMAOAFFAR1
SCHEMBL6749775 0.83 ALOX5 (0.67) MAOBBCHELCKMAOAALOX5
SCHEMBL852434 0.83 MAOB (0.57) MAOBBCHECYP4F2CYP4A11LCK
SCHEMBL6209659 0.83 MAOB (0.57) MAOBBCHECYP4F2CYP4A11LCK
SCHEMBL538272 0.83 MAOB (0.69) MAOBBCHECYP4F2CYP4A11LCK
SCHEMBL30344886 0.83 MAOB (0.69) MAOBBCHECYP4F2CYP4A11LCK
SCHEMBL15688057 0.82 DRD2 (0.51) MAOBBCHEMAOAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-108066220-A A kind of fragrant profit moisturizer and preparation method thereof 湖北瑞晟生物有限责任公司 2018-05-25 CN disclosed
CN-107344940-A BTK inhibitor and application thereof 广东东阳光药业有限公司 2017-11-14 CN disclosed
CN-103655306-A Antisepsis and anti-inflammation toothpaste without preservative and preparation method thereof QINGDAO HIFUN MARINE BIOLOG TECHNOLOGY CO LTD 2014-03-26 CN disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-5559144-A LIPOXYGENASE INHIBITORS, INHIBITORS OF BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1996-09-24 US disclosed
US-5476873-A Inhibit biosynthesis of leukotrienes ABBOTT LABORATORIES (US) 1995-12-19 US disclosed
EP-0476658-B1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMA (US) 1995-11-15 EP disclosed
US-5446068-A Antiinflammatory agent MERRELL DOW PHARMACEUTICALS INC. (US) 1995-08-29 US disclosed
EP-0540673-A4 1994-04-27 EP disclosed
US-5248825-A Aromatic ketones containing triple bond MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-28 US disclosed
EP-0540673-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1993-05-12 EP disclosed
CN-1059901-A CALCIUM UPTAKE INHIBITORS MERRELL DOW PHARMA (US) 1992-04-01 CN disclosed
EP-0476658-A1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 EP disclosed
WO-1992001682-A1 ACETYLENE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1992-02-06 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 (1 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-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP MAOB 779/4885BCHE 19/4885CYP4F2 4096/4885

“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.