SCHEMBL509507

SCHEMBL509507

COc1cc(C#N)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CA9 Q16790 1/20 0.50
CACNA1G O43497 1/20 0.47
CACNA1B Q00975 1/20 0.47
PTGS2 P35354 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AR P10275 2/20 0.44
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL523729 0.87 AR (0.46) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL524326 0.86 HPGD (0.44) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL523635 0.86 TSHR (0.46) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL7129305 0.86 TTR (0.50) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL31432665 0.81 AR (0.44) CYP3A4MAPTCYP1A2KDM4EALDH1A1
SCHEMBL6644614 0.81 AR (0.49) ACHEKDM4EALDH1A1ARGPR35
SCHEMBL7371195 0.80 VCAM1 (0.54) CYP3A4MAPTPTGS2KDM4EALDH1A1
SCHEMBL7927104 0.79 AR (0.43) ACHECACNA1GCACNA1BKDM4EALDH1A1
SCHEMBL1614422 0.79 AR (0.43) MAPTKDM4EALDH1A1L3MBTL1AR
SCHEMBL443285 0.79 TTR (0.52) CYP3A4MAPTCA9PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907838-B Wide-temperature-range stimulus-responsive phosphorescent material, and preparation method and application thereof 西南大学 2023-07-21 CN claimed
CN-115850170-A Acridine-10 (9H) - (3, 4, 5-trimethoxyphenyl) ketone compound and preparation method and application thereof 英维沃化工科技(广州)有限公司 2023-03-28 CN claimed
CN-111018780-B N-carbonyl-9, 10-dihydroacridine compound and application thereof 南方医科大学 2022-12-02 CN claimed
CN-114907838-A Wide-temperature-range stimulus-responsive phosphorescent material and preparation method and application thereof 西南大学 2022-08-16 CN claimed
CN-109438512-A The preparation method of a kind of aromatic alkyl phosphorous oxide type compound 湖南大学 2019-03-08 CN claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 US claimed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US claimed
CN-85101310-A Process for preparing 3, 4, 5-trimethoxy benzonitrile 1987-01-24 CN claimed
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use CYBIN IRL LIMITED (IE) 2026-05-19 US disclosed
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2025-05-08 US disclosed
US-20240317704-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE CYBIN IRL LIMITED (IE) 2024-09-26 US disclosed
CN-117567332-A Method for simultaneously synthesizing thioether compounds and nitrile compounds 石河子大学 2024-02-20 CN disclosed
CN-110612614-B Ink composition for forming organic layer of semiconductor 诺瓦尔德股份有限公司 2023-10-31 CN disclosed
US-11787965-B2 Ink composition for forming an organic layer of a semiconductor NOVALED GMBH (DE) 2023-10-17 US disclosed
CN-1069882-A The Compounds and methods for that suppresses HIV and correlated virus MEDIVIR AB (CH) 1993-03-17 CN disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
CN-85101310-A Process for preparing 3, 4, 5-trimethoxy benzonitrile 1987-01-24 CN disclosed
CN-85101310-A Process for preparing 3, 4, 5-trimethoxy benzonitrile 1987-01-24 CN disclosed
US-3985891-A CARDIOTONICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-10-12 US disclosed
US-3935213-A Process for hypotensive 4-amino-2-(piperazin-1-yl) quinazoline derivatives PFIZER INC. (US) 1976-01-27 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 (3 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-20240317704-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE HTR2C, HTR2A, PNMT ACHE 374/4885PDE4A 929/4885PDE4B 1240/4885
US-12630504-B2 Phenethylamine derivatives, compositions, and methods of use HTR2C, HTR1A, HTR2A ACHE 777/4885PDE4A 1169/4885PDE4B 1806/4885
US-20250145566-A1 PHENETHYLAMINE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE PNMT, HTR7, HTR2C ACHE 397/4885PDE4A 1156/4885PDE4B 1557/4885

“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.