SCHEMBL7740447

SCHEMBL7740447

COC(=O)C1COCCO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
MIF P14174 2/20 0.32
HPGD P15428 2/20 0.31
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8069789 1.00 PDK1 (0.42) PDK1PPM1BPTPN1PPP1CCMIF
SCHEMBL1816084 0.83
SCHEMBL839705 0.82
SCHEMBL839706 0.82
SCHEMBL30912051 0.82 PDK1 (0.42) PDK1PPM1BPTPN1PPP1CCMIF
SCHEMBL840388 0.82
SCHEMBL31079599 0.82 PDK1 (0.41) PDK1PPM1BPTPN1PPP1CCMIF
SCHEMBL6510742 0.81
SCHEMBL1863442 0.81
SCHEMBL30350416 0.81 PPM1B (0.33) PDK1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN claimed
CN-118239923-A Compounds useful as inhibitors of factor XIIa, pharmaceutical compositions and uses thereof 合肥工业大学 2024-06-25 CN disclosed
CN-118055779-A Novel degradant conjugates 奥隆制药 2024-05-17 CN disclosed
CN-116621859-A Tri-fused ring KAT6 inhibitors 山东轩竹医药科技有限公司 2023-08-22 CN disclosed
CN-115867322-A Novel degradant conjugates 奥隆制药 2023-03-28 CN disclosed
CN-113710665-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2021-11-26 CN disclosed
CN-112939995-A Process for preparing dioxanoquinazoline derivatives 北京工业大学 2021-06-11 CN disclosed
CN-107108587-B Aldosterone synthase inhibitors 勃林格殷格翰国际有限公司 2020-05-22 CN disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-11-12 US disclosed
CN-101027056-A Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO INC (US) 2007-08-29 CN disclosed
US-6413936-B1 RHEUMATIC DISORDERS; ANTIISCHEMIC AGENTS GLYCOREX AB (SE) 2002-07-02 US disclosed
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed
US-5885981-A REACTING A HALOGENATED ALKYL COMPOUND WITH A PENEM COMPOUND SUNTORY LIMITED (JP) 1999-03-23 US disclosed
US-5830889-A ANTIBIOTIC IN ORAL DOSAGE FORMS SUNTORY LIMITED (JP) 1998-11-03 US disclosed
EP-0757050-A1 Antibacterial penem esters derivatives SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0544907-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1993-06-09 EP disclosed
WO-1992003442-A1 ANTIBACTERIAL PENEM ESTERS DERIVATIVES SUNTORY LIMITED (JP) 1992-03-05 WO disclosed
US-4470843-A Dihalopropyl ester herbicide antidotes STAUFFER CHEMICAL COMPANY (US) 1984-09-11 US disclosed
US-4411686-A Dihalopropyl ester antidotes for acetanilide herbicides STAUFFER CHEMICAL COMPANY (US) 1983-10-25 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-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS PDK1 1300/4885PPM1B 2601/4885PTPN1 2697/4885

“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.