SCHEMBL334750

SCHEMBL334750

OC1=[C]Cc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OXTR P30559 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL3689696 0.71 MAOA (0.38) MAOAMAOBGAANPSR1
SCHEMBL62756 0.67 MAOA (0.46) MAOAMAOBGAANPSR1RAB9A
SCHEMBL9031787 0.65 MAOA (0.50) MAOAMAOBGAANPSR1RAB9A
Xanthene SCHEMBL29378346 0.64 MAOA (1.00) MAOAMAOBGAANPSR1RAB9A
SCHEMBL971330 0.64 MAOA (0.70) MAOAMAOBGAANPSR1RAB9A
SCHEMBL30360775 0.64 MAOA (0.70) MAOAMAOBGAANPSR1RAB9A
Xanthene SCHEMBL4267 0.64 MAOA (1.00) MAOAMAOBGAANPSR1RAB9A
Xanthene SCHEMBL30586075 0.64 MAOA (1.00) MAOAMAOBGAANPSR1RAB9A
Xanthene SCHEMBL9339684 0.64 MAOA (1.00) MAOAMAOBGAANPSR1RAB9A
SCHEMBL2851479 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806563-A B-N-containing organic electroluminescent material and application thereof in electroluminescent device 广东阿格蕾雅光电材料有限公司 2023-03-17 CN claimed
CN-115521326-A Organic electroluminescent material containing B-N condensed ring and application thereof 广东阿格蕾雅光电材料有限公司 2022-12-27 CN claimed
CN-115368244-A Synthetic method of 2-aryl-2- (4-aminophenyl) propane 北京鼎材科技有限公司 2022-11-22 CN claimed
CN-115304623-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-11-08 CN claimed
CN-115260245-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-11-01 CN claimed
CN-114920746-A BTK (BTK inhibitory or degrading agent) and application thereof in medicine 四川海思科制药有限公司 2022-08-19 CN claimed
CN-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 CN claimed
CN-114605419-A Pyrrolidine compound with anti-new coronavirus activity and application thereof in medicines 威科检测集团有限公司 2022-06-10 CN claimed
CN-114539180-A Isoxazoline-containing bisamide compound and preparation method and application thereof 贵州大学 2022-05-27 CN claimed
CN-114507235-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-05-17 CN claimed
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO claimed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
US-7101873-B2 Pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-09-05 US claimed
US-20060194799-A1 Novel pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-08-31 US claimed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 US claimed
US-20030232813-A1 Novel amino substituted pyrimidinone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-18 US claimed
WO-2003084935-A2 DIARYL PYRIMIDINONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOGOLICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-10-16 WO claimed
WO-2003084936-A2 AMINO SUBSTITUTED PYRIMIDINONE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO claimed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030232813-A1 Novel amino substituted pyrimidinone derivatives TPMT, TYMP, CYP3A5 MAOA 1712/4885MAOB 952/4885GAA 1958/4885
US-20040009975-A1 Novel pyrimidinedione derivatives TYMS, DPYD, TYMP MAOA 3328/4885MAOB 2315/4885GAA 2902/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI MAOA 1277/4885MAOB 1191/4885GAA 42/4885
US-20060194799-A1 Novel pyrimidinedione derivatives TYMS, TYMP, DPYD MAOA 3116/4885MAOB 2030/4885GAA 2900/4885

“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.