SCHEMBL50555

SCHEMBL50555

O=C(/C=C\C(=O)OC1C=Cc2ccccc21)OC1C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR6 P50406 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2A P28223 1/20 0.32
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
RET P07949 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29059172 1.00 POLB (0.37) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL27926854 0.92 HCAR2 (0.38) POLBKDM4EALDH1A1MAPTHCAR2
SCHEMBL27902025 0.91 POLB (0.34) POLBKDM4EALDH1A1RETLMNA
SCHEMBL9308792 0.88 LMNA (0.43) ALDH1A1MAPTCYP2D6HCAR2LMNA
SCHEMBL15665769 0.87 POLB (0.35) POLBKDM4EALDH1A1HTR6HTR2A
SCHEMBL6700611 0.84 POLB (0.39) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL30931450 0.82 POLB (0.38) POLBKDM4EALDH1A1HTR6HTR2A
SCHEMBL89374 0.81 POLB (0.49) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL8697270 0.81 POLB (0.49) POLBKDM4EALDH1A1HTR6MAPT
SCHEMBL8694188 0.81 POLB (0.49) POLBKDM4EALDH1A1HTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109200034-A A kind of composition and preparation method thereof of inhalable dry powder form 正大天晴药业集团股份有限公司 2019-01-15 CN claimed
CN-106749008-A A kind of method of micronization of maleic acid QAB-149 and its application 北京九和药业有限公司 2017-05-31 CN claimed
CN-117083273-A Crystalline forms of the dihydrochloride salt of a JAK inhibitor compound 施万生物制药研发IP有限责任公司 2023-11-17 CN disclosed
CN-114344285-B Improved inhalable agglomerates 江苏恒瑞医药股份有限公司 2023-11-14 CN disclosed
CN-110381951-A For treating the method and composition of pulmonary hypertension He other lung disorders 瑞必治公司 2019-10-25 CN disclosed
CN-110290781-A The dosage form of stomach and intestine privileged site control release 南京三迭纪医药科技有限公司 2019-09-27 CN disclosed
CN-110013481-A Maleic acid datro application in preparation of anti-tumor drugs 暨南大学 2019-07-16 CN disclosed
CN-105188757-B The inhalable aggregate of porous carrier particle and micronized medication 诺华股份有限公司 2019-04-30 CN disclosed
CN-105209013-B Spray dried formulations are decrystallized through taking off for mixing by spraying 诺华股份有限公司 2019-04-26 CN disclosed
CN-104736144-B Efflux inhibitor compositions and methods of treatment using such compositions 艾祖米科技有限公司 2019-02-01 CN disclosed
CN-109200034-A A kind of composition and preparation method thereof of inhalable dry powder form 正大天晴药业集团股份有限公司 2019-01-15 CN disclosed
EP-2066325-A2 PHARMACEUTICAL COMPOSITIONS OF ARIPIPRAZOLE Zysis Limited (GB) 2009-06-10 EP disclosed
CN-101296701-A A combination of compounds, which can be used in the treatment of respiratory diseases, especially chronic obstructive pulmonary disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN disclosed
CN-101296698-A Combination of compounds for the treatment of respiratory diseases, in particular Chronic Obstructive Pulmonary Disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN disclosed
WO-2008125843-A1 PHARMACEUTICAL COMPOSITIONS ZYSIS LIMITED (GB) 2008-10-23 WO disclosed
WO-2008038003-A2 PHARMACEUTICAL COMPOSITIONS OF ARIPIPRAZOLE ZYSIS LIMITED (GB) 2008-04-03 WO disclosed
EP-1568361-A2 Sustained-release pharmaceutical composition containing tamsulosin YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-08-31 EP disclosed
US-20050100602-A1 Sustained release pharmaceutical composition YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
US-20050100603-A1 Sustained release pharmaceutical composition YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1529526-A1 Sustained-release pharmaceutical compositon YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-05-11 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 (2 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-20050100602-A1 Sustained release pharmaceutical composition ADRA2A, ADRA2C, ADRA1A POLB 4781/4885KDM4E 4416/4885ALDH1A1 2853/4885
US-20050100603-A1 Sustained release pharmaceutical composition ADRB1, ADRA1B, ADRB2 POLB 4779/4885KDM4E 4671/4885ALDH1A1 2470/4885

“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.