SCHEMBL705208

SCHEMBL705208

CCCC(=O)c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
PDE4B Q07343 1/20 0.66
HDAC1 Q13547 5/20 0.64
HDAC8 Q9BY41 5/20 0.64
HDAC3 O15379 3/20 0.64
HDAC4 P56524 3/20 0.64
HDAC7 Q8WUI4 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC10 Q969S8 3/20 0.64
HDAC11 Q96DB2 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC9 Q9UKV0 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
MMP1 P03956 1/20 0.64
GSK3B P49841 1/20 0.63
HSD17B3 P37058 1/20 0.62
STS P08842 1/20 0.62
CES2 O00748 1/20 0.57

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
SCHEMBL16552644 0.90 MMP1 (0.76) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL1826616 0.89 MMP1 (0.61) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL6286678 0.89 MMP1 (0.61) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL4530719 0.89 PDE4B (0.72) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL1304627 0.87 PDE4B (0.70) MAPTPDE4BHDAC1HDAC8NPC1
SCHEMBL3915567 0.86 PDE4B (0.59) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL4082864 0.86 PDE4B (0.86) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL3171960 0.86 PDE4B (0.79) MAPTPDE4BHDAC1HDAC8HDAC3
SCHEMBL10865339 0.85 HDAC8 (0.69) MAPTPDE4BHDAC1HDAC8NPC1
SCHEMBL9520347 0.85 HDAC8 (0.69) MAPTPDE4BHDAC1HDAC8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114858944-B Method for detecting p-methoxypropiophenone related substances 石家庄四药有限公司 2023-02-03 CN claimed
CN-114858944-A Method for detecting p-methoxypropiophenone related substances 石家庄四药有限公司 2022-08-05 CN claimed
US-10646416-B2 Microcapsules containing a gas-releasing photolabile compound and uses thereof FIRMENICH SA (CH) 2020-05-12 US claimed
US-20110239736-A1 Whole Mouth Malador Control By A Combination Of Antibacterial And Deodorizing Agents THE PROCTER & GAMBLE COMPANY 2011-10-06 US claimed
CN-114858944-B Method for detecting p-methoxypropiophenone related substances 石家庄四药有限公司 2023-02-03 CN disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-20220257484-A1 WHOLE MOUTH MALADOR CONTROL BY A COMBINATION OF ANTIBACTERIAL AND DEODORIZING AGENTS PROCTER & GAMBLE (US) 2022-08-18 US disclosed
CN-114858944-A Method for detecting p-methoxypropiophenone related substances 石家庄四药有限公司 2022-08-05 CN disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
CN-114097780-A Method for preparing bactericide for inhibiting botrytis cinerea and application 吉林大学 2022-03-01 CN disclosed
US-11185839-B2 Reconfigurable multi-step chemical synthesis system and related components and methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-11-30 US disclosed
CN-112321440-B Amino phenyl ketone compound and preparation method and application thereof 南方医科大学 2021-09-24 CN disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-4450115-A ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AND CARDIOTONIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-22 US disclosed
EP-0101785-A2 Organic compounds that contain sulphur, and their use as additives in polymers CHOMERICS, INC. (US) 1984-03-07 EP disclosed
US-4381398-A Amino-alcohol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-04-26 US disclosed
EP-0008752-B1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-2-ETHYL-BENZOFURAN-5-ACETIC ACID ALFA FARMACEUTICI S.p.A. (IT) 1981-08-12 EP disclosed
US-4230621-A TRACERS, HYDROXYPHENYLGLUTARIC ACID DERIVATIVES E. R. SQUIBB & SONS, INC. (US) 1980-10-28 US 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 (5 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-10646416-B2 Microcapsules containing a gas-releasing photolabile compound and uses thereof ALOX5, TRPA1, FASN MAPT 645/4885PDE4B 1157/4885HDAC1 4866/4885
US-20220257484-A1 WHOLE MOUTH MALADOR CONTROL BY A COMBINATION OF ANTIBACTERIAL AND DEODORIZING AGENTS OR10J3, HDAC10, RPP30 MAPT 4610/4885PDE4B 3264/4885HDAC1 410/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 MAPT 527/4885PDE4B 3173/4885HDAC1 2860/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 MAPT 380/4885PDE4B 3313/4885HDAC1 3387/4885
US-20110239736-A1 Whole Mouth Malador Control By A Combination Of Antibacterial And Deodorizing Agents OR10J3, HDAC10, RPP30 MAPT 4610/4885PDE4B 3264/4885HDAC1 410/4885

“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.