SCHEMBL96647

SCHEMBL96647

O=[C]CCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SIGMAR1 Q99720 4/20 0.48
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL6577459 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL6577351 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL6577458 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL98283 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL6577425 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL11834546 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL1772170 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL4957180 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL6579084 0.98 MAPT (0.53) MAOAMAOBMAPTRXFP1SIGMAR1
SCHEMBL97266 0.93 HDAC3 (0.50) MAOAMAOBMAPTRXFP1SIGMAR1

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 1137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063666-B Multifunctional polyester material and preparation method and application thereof 四川大学 2024-04-19 CN claimed
CN-116063666-A Multifunctional polyester material and preparation method and application thereof 四川大学 2023-05-05 CN claimed
CN-113444005-A Method for synthesizing novel glutaric acid compound from diaryl substituted non-activated olefin 四川大学 2021-09-28 CN claimed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US claimed
CN-109475593-A COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE 豪夫迈·罗氏有限公司 2019-03-15 CN claimed
CN-104693273-B A kind of Novel insect kassinin kinin analog and its application 中国农业大学 2018-03-06 CN claimed
US-9205071-B2 Arsenic compounds, their preparation methods and uses thereof CHANGZHOU HI-TECH DISTRICT MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INSTITUTE CO., LTD. (CN) 2015-12-08 US claimed
CN-102481284-A Use of andrographolide compounds for treating inflammation and airway disorders UNIV SINGAPORE 2012-05-30 CN claimed
US-20120039995-A1 ARSENIC COMPOUNDS, THEIR PREPARATION METHODS AND USES THEREOF CHANGZHOU HI-TECH DISTRICT MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INSTITUTE CO., LTD. (CN) 2012-02-16 US claimed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO claimed
WO-1998023644-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-06-04 WO claimed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO claimed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO claimed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 WO claimed
EP-0443559-A2 HIV protease inhibiting agents BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
US-4396613-A DEMYCINOSYLTYLOSIN, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US 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 (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-20120039995-A1 ARSENIC COMPOUNDS, THEIR PREPARATION METHODS AND USES THEREOF AS3MT, MCL1, MLLT3 MAOA 2759/4885MAOB 2285/4885MAPT 4038/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 MAOA 1516/4885MAOB 1282/4885MAPT 1767/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 MAOA 1516/4885MAOB 1282/4885MAPT 1767/4885

“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.