SCHEMBL179447

SCHEMBL179447

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.62
PARP1 P09874 7/20 0.57
KIF11 P52732 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
DHODH Q02127 1/20 0.49
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
Acetic Acid SCHEMBL4631451 0.94 ACHE (0.57) ACHEPARP1KIF11HDAC8HDAC6
SCHEMBL27989141 0.88 PARP1 (0.57) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL30112011 0.86 PARP1 (0.55) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL27787452 0.86 PARP1 (0.55) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL8324897 0.86 PARP1 (0.60) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL3600911 0.85 ACHE (0.54) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL31292467 0.83 MAPT (0.53) ACHEPARP1KIF11DHODHMAPT
SCHEMBL19261303 0.82 PARP1 (0.50) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL1696789 0.82 PARP1 (0.50) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL22292164 0.82 PARP1 (0.50) ACHEPARP1KIF11MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102676159-B White-light nano particle preparation method UNIV NANJING POSTS & TELECOMM 2013-12-11 CN claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
CN-122010796-A Small molecule inhibitor based on lactate dehydrogenase targeting design and application thereof 南京师范大学 2026-05-12 CN disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
CN-1153177-A 13-substituted milbemycin 5-oxime derivatives their preparation and their use against insects and other pests SANKYO CO (JP) 1997-07-02 CN disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS ACHE 4870/4885PARP1 3604/4885KIF11 2748/4885
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ACHE 571/4885PARP1 3430/4885KIF11 4548/4885
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 ACHE 4742/4885PARP1 621/4885KIF11 4063/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ACHE 1622/4885PARP1 842/4885KIF11 3516/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 ACHE 4428/4885PARP1 2549/4885KIF11 2603/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 ACHE 4428/4885PARP1 2549/4885KIF11 2603/4885
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 ACHE 1772/4885PARP1 4171/4885KIF11 3933/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 ACHE 4767/4885PARP1 589/4885KIF11 4007/4885

“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.