SCHEMBL3948099

SCHEMBL3948099

O=C1CCC(=O)O1.O=C1CCC(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 1.00
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
GMNN O75496 1/20 0.32
PPM1B O75688 1/20 0.32
PPP1CC P36873 1/20 0.32
TFPI2 P48307 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1333224 1.00
SCHEMBL1330876 1.00
SCHEMBL16123 1.00
SCHEMBL3775773 1.00 TSHR (1.00) TSHRLMNATP53ALDH1A1CA1
SCHEMBL10783338 0.96
SCHEMBL991942 0.96
Ammonia Solution, Strong SCHEMBL1484118 0.96
Bromide SCHEMBL2163421 0.96 TSHR (0.92) TSHRLMNATP53ALDH1A1CA1
SCHEMBL6234733 0.96
SCHEMBL1014110 0.96

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104587480-B It is a kind of to pass through nano material of blood-brain barrier and preparation method and application 首都医科大学 2017-06-20 CN claimed
CN-116102534-B Covalent PARP PROTACs derivatives and their use 四川大学 2024-06-04 CN disclosed
US-20240124768-A1 TAGGING AGENTS, ANTI-SCALANT POLYMER COMPOSITIONS, AND METHODS STERLING SPECIALTY CHEMICALS HOLDING UK LIMITED (GB) 2024-04-18 US disclosed
CN-117159490-A Nanometer vaccine loaded with medicine and preparation method and application thereof 重庆医科大学附属第二医院 2023-12-05 CN disclosed
CN-116102534-A Covalent PARP PROTACs derivative and application thereof 四川大学 2023-05-12 CN disclosed
CN-110518286-A Electrolyte and electrochemical appliance and electronic device including electrolyte NINGDE AMPEREX TECHNOLOGY LTD 2019-11-29 CN disclosed
CN-107531656-A Integrated approach for chemical synthesis 诺沃梅尔公司 2018-01-02 CN disclosed
CN-106414331-B Method for preparing bag bits grain calciferous 欧米亚国际集团 2017-12-29 CN disclosed
CN-106488899-A Integrated approach for chemosynthesis 诺沃梅尔公司 2017-03-08 CN disclosed
CN-106458625-A Method for producing surface-modified materials 欧米亚国际集团 2017-02-22 CN disclosed
CN-106414331-A Process for the preparation of crumbles comprising calcium carbonate 欧米亚国际集团 2017-02-15 CN disclosed
EP-2491097-A1 PROCESS USING POLYPROPYLENE OR POLY (ETHYLENE CO PROPYLENE) SUCCINIMIDE AS ANTIFOULING ADDITIVE IN PETROLEUM REFINERY PROCESSES ExxonMobil Research and Engineering Company (US) 2012-08-29 EP disclosed
EP-2051803-A1 SOLID SUPPORT Chromatide Ltd (GB) 2009-04-29 EP disclosed
WO-2008069904-A1 ALKYLTIN SULFANYL DIESTER THIOLS CHEMTURA CORPORATION (US) 2008-06-12 WO disclosed
WO-2008012064-A1 SOLID SUPPORT CHROMATIDE LTD (GB) 2008-01-31 WO disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO 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-20240124768-A1 TAGGING AGENTS, ANTI-SCALANT POLYMER COMPOSITIONS, AND METHODS CUTA, DDOST, PCNA TSHR 4798/4885LMNA 1434/4885TP53 1002/4885

“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.