SCHEMBL3302685

SCHEMBL3302685

C=CC[N+]1(C)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.38
CDC25A P30304 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
BBOX1 O75936 2/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
Iodide SCHEMBL29642062 0.97 TP53 (0.50) TP53KDM4ECDC25ASMN1; SMN2TSHR
SCHEMBL602904 0.97
Bromide SCHEMBL9190482 0.95 TP53 (0.52) TP53KDM4ESMN1; SMN2BBOX1
Hydrochloric Acid SCHEMBL9784174 0.95 TP53 (0.46) TP53KDM4ESMN1; SMN2BBOX1
SCHEMBL12863227 0.86 TP53 (0.36) TP53SMN1; SMN2TSHR
SCHEMBL15709604 0.78 TP53 (0.35) TP53
Methoxyacetic Acid SCHEMBL17418378 0.77 TP53 (0.39) TP53KDM4ECDC25ATSHRCTDSP1
SCHEMBL3309549 0.75 HPGD (0.33) TP53SMN1; SMN2CHRNB2CHRNA4
Methoxyacetic Acid SCHEMBL17418175 0.74 TP53 (0.36) TP53KDM4ECDC25ATSHRBBOX1
SCHEMBL29849627 0.74 TP53 (0.33) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118352628-A Electrolyte for secondary battery, battery module, battery pack, and electricity device 宁德时代新能源科技股份有限公司 2024-07-16 CN claimed
CN-118352623-A Electrolyte for sodium secondary battery, and electricity using device 宁德时代新能源科技股份有限公司 2024-07-16 CN claimed
WO-2024130592-A1 ELECTROLYTE FOR SECONDARY BATTERY, SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2024-06-27 WO claimed
CN-117466704-A Preparation method of 1, 2-dichloro-3, 3-trifluoropropene 西安近代化学研究所 2024-01-30 CN claimed
CN-117342926-A Method for synthesizing trans-1, 2-dichloro-3, 3-trifluoropropene 西安近代化学研究所 2024-01-05 CN claimed
CN-115572208-A Preparation method of 2-chloro-3,3,3-trifluoropropene 西安近代化学研究所 2023-01-06 CN claimed
CN-114874489-A Preparation method of high-viscosity regenerated nylon recovered from ionic liquid and prepared regenerated nylon 宁波坚锋新材料有限公司 2022-08-09 CN claimed
CN-114262255-A Method for synthesizing trans-1, 1,1,4,4, 4-hexafluoro-2-butene 西安近代化学研究所 2022-04-01 CN claimed
CN-111607123-A Method for recovering nylon/polyolefin composite membrane by using ionic liquid 宁波坚锋新材料有限公司 2020-09-01 CN claimed
EP-3636638-A1 COMPOSITION COMPRISING AN IONIC LIQUID WITH FLUORINATED ANION proionic GmbH (AT) 2020-04-15 EP claimed
US-20090286163-A1 ELECTROLYTE MIXTURES USEFUL FOR LI-ION BATTERIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-11-19 US claimed
US-20240238867-A1 DEPOSITION OF REACTIVE METALS WITH PROTECTION LAYER FOR HIGH VOLUME MANUFACTURING ELEVATED MATERIALS US LLC 2024-07-18 US disclosed
CN-118352628-A Electrolyte for secondary battery, battery module, battery pack, and electricity device 宁德时代新能源科技股份有限公司 2024-07-16 CN disclosed
CN-118352623-A Electrolyte for sodium secondary battery, and electricity using device 宁德时代新能源科技股份有限公司 2024-07-16 CN disclosed
WO-2024138559-A1 ELECTROLYTE COMPOSITION, SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK, AND ELECTRICAL DEVICE 宁德时代新能源科技股份有限公司 2024-07-04 WO disclosed
WO-2009132740-A2 REACTIVE IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-11-05 WO disclosed
US-20080261113-A1 SECONDARY ELECTROCHEMICAL CELL WITH HIGH RATE CAPABILITY VALENCE TECHNOLOGY, INC. 2008-10-23 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 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 (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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 TP53 4416/4885KDM4E 3284/4885CDC25A 2979/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 TP53 4648/4885KDM4E 1627/4885CDC25A 3685/4885

“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.