SCHEMBL35213

SCHEMBL35213

Cn1cc[n+](CCCC(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 2/20 0.34
TSHR P16473 4/20 0.33
TBXAS1 P24557 3/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
AKR1B1 P15121 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
PPARG P37231 4/20 0.32
PPARD Q03181 4/20 0.32
PPARA Q07869 4/20 0.32
GPR84 Q9NQS5 3/20 0.32
HDAC11 Q96DB2 3/20 0.32
ALDH1A1 P00352 2/20 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
Hydrochloric Acid SCHEMBL6115678 0.98 TBXAS1 (0.36) LMNASLC22A6TSHRTBXAS1NFKB1
SCHEMBL18211781 0.93 TSHR (0.40) LMNASLC22A6TSHRTBXAS1NFKB1
SCHEMBL22916707 0.93 TSHR (0.40) LMNASLC22A6TSHRTBXAS1NFKB1
SCHEMBL18211773 0.93 TSHR (0.40) LMNASLC22A6TSHRTBXAS1NFKB1
SCHEMBL18211771 0.93 TSHR (0.40) LMNASLC22A6TSHRTBXAS1NFKB1
Bromide SCHEMBL1977150 0.92 TSHR (0.39) LMNASLC22A6TSHRTBXAS1NFKB1
SCHEMBL717072 0.89 EGLN3 (0.32) MEN1KMT2AHSP90AA1SMN1; SMN2KDM4E
Glutarate SCHEMBL29142326 0.89 MEN1 (0.40) SLC22A6TSHRAKR1B1MEN1KMT2A
Hydrochloric Acid SCHEMBL29008264 0.87 EGLN3 (0.34) TBXAS1MEN1KMT2AHSP90AA1SMN1; SMN2
Bromide SCHEMBL571256 0.87 MEN1 (0.33) MEN1KMT2AHSP90AA1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230721-A1 UNDIFFERENTIATION PROMOTER AND CRYOPROTECTIVE AGENT USING APROTONIC DIPOLAR ION 国立研究開発法人科学技術振興機構 2020-11-19 WO disclosed
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid UNIV DENMARK TECH DTU (DK) 2017-11-30 US disclosed
US-20150094486-A1 ACTIVE IONIC LIQUID MIXTURES FOR OXIDIZING ALKYLAROMATIC COMPOUNDS UOP LLC (US) 2015-04-02 US disclosed
US-20130206234-A1 ELECTROLYTE FOR PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT AND DYE-SENSITISED SOLAR CELL USING SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-08-15 US disclosed
EP-1660457-B1 IONIC LIQUIDS BASED ON IMIDAZOLIUM SALTS INCORPORATING A NITRILE FUNCTIONALITY ECOLE POLYTECH (CH) 2011-09-28 EP disclosed
US-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID TECHNICAL UNIVERSITY OF DENMARK (DK) 2011-03-17 US disclosed
US-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID TECHNICAL UNIVERSITY OF DENMARK (DK) 2011-03-17 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-20110065950-A1 PALLADIUM CATALYST SYSTEM COMPRISING ZWITTERION AND/OR ACID-FUNCTIONALYZED IONIC LIQUID PDCD2L, PCCA, PDK2 LMNA 4076/4885SLC22A6 4141/4885TSHR 4227/4885
US-20170341067-A1 Palladium Catalyst System Comprising Zwitterion And/Or Acid-Functionalyzed Ionic Liquid PDCD2L, PCCA, PDK2 LMNA 4076/4885SLC22A6 4141/4885TSHR 4227/4885

“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.