SCHEMBL3673850

SCHEMBL3673850

CCCCCCC(C)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
ACE2 Q9BYF1 1/20 0.50
ZDHHC7 Q9NXF8 1/20 0.48
FAAH O00519 1/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR84 Q9NQS5 3/20 0.45
FDPS P14324 3/20 0.45
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CPB2 Q96IY4 1/20 0.43

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
SCHEMBL3677429 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL14169844 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL6117662 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL8073537 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL22748707 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL8963949 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL11869095 1.00 CA1 (0.55) CA1ACE2ZDHHC7FAAHFFAR1
Hydrochloric Acid SCHEMBL28426136 0.98 CA1 (0.53) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL5138404 0.98 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1
SCHEMBL16298859 0.98 CA1 (0.57) CA1ACE2ZDHHC7FAAHFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112154145-B Piperazine azaspiro derivatives 辉瑞大药厂 2023-10-17 CN claimed
CN-109996792-B Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain 赫普泰雅治疗有限公司 2023-02-17 CN claimed
CN-106659719-A Muscarinic receptor agonists 赫普泰雅治疗有限公司 2017-05-10 CN claimed
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-114057740-B Spiropyrimidinone derivatives, method for the production thereof, pharmaceutical compositions and use thereof 上海赛默罗生物科技有限公司 2024-04-02 CN disclosed
CN-112638477-B Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2024-01-26 CN disclosed
CN-117417355-A Fused heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-01-19 CN disclosed
CN-117384155-A Diazabicyclooctanones as serine beta-lactamase inhibitors 安塔比奥公司 2024-01-12 CN disclosed
CN-117242079-A KRAS G12D inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-15 CN disclosed
CN-112154145-B Piperazine azaspiro derivatives 辉瑞大药厂 2023-10-17 CN disclosed
CN-111587112-B Rho-related inhibitors of coiled-coil-containing protein kinases 卡德门企业有限公司 2023-10-10 CN disclosed
CN-100335509-C Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2007-09-05 CN disclosed
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
CN-1737016-A Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1737017-A Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1219800-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2005-09-21 CN disclosed
CN-1342715-A Polar group-containing olefin copolymer, process for producing the same, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2002-04-03 CN disclosed
US-5463095-A Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-10-31 US disclosed
EP-0629603-A1 Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-12-21 EP disclosed
US-3968133-A Carboxylation process for preparing linear fatty acids or esters TEXACO INC. (US) 1976-07-06 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 (1 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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C CA1 1276/4885ACE2 2027/4885ZDHHC7 1003/4885

“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.