SCHEMBL2250663

SCHEMBL2250663

COCCCN(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33

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
SCHEMBL26109677 0.88 ALDH1A1 (0.35) ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL1054527 0.86
SCHEMBL14067192 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1TSHRTP53GAA
SCHEMBL26113721 0.82 L3MBTL1 (0.33) ALDH1A1L3MBTL1KDM4E
SCHEMBL12355646 0.80 TSHR (0.39) ALDH1A1MAPK1TSHRHDAC1HDAC6
SCHEMBL19924672 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRGAA
SCHEMBL21592448 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1TSHRTP53GAA
SCHEMBL28903229 0.80 NOS3 (0.38) ALDH1A1RAB9A
SCHEMBL21815374 0.80 NOS3 (0.38) ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL26923701 0.79 KDM4E (0.31) ALDH1A1SMN1; SMN2L3MBTL1KDM4E

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
EP-2378601-B1 ELECTROLYTE CONTAINING A EUTECTIC MIXTURE AND A SPECIFIC NITRILE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE SAME LG CHEMICAL LTD (KR) 2016-03-30 EP claimed
EP-2378601-A2 ELECTROLYTE CONTAINING EUTECTIC MIXTURE AND NITRILE COMPOUND AND ELECTROCHEMICAL DEVICE FURNISHED WITH THE SAME LG Chem, Ltd. (KR) 2011-10-19 EP claimed
US-20100304222-A1 ELECTROLYTE HAVING EUTECTIC MIXTURE AND NITRILE COMPOUND, AND ELECTROCHEMICAL DEVICE CONTAINING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2010-12-02 US claimed
US-9954253-B2 Electrolyte having eutectic mixture and nitrile compound, and electrochemical device containing the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
EP-2378601-B1 ELECTROLYTE CONTAINING A EUTECTIC MIXTURE AND A SPECIFIC NITRILE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE SAME LG CHEMICAL LTD (KR) 2016-03-30 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
EP-2378601-A2 ELECTROLYTE CONTAINING EUTECTIC MIXTURE AND NITRILE COMPOUND AND ELECTROCHEMICAL DEVICE FURNISHED WITH THE SAME LG Chem, Ltd. (KR) 2011-10-19 EP disclosed
US-7989451-B2 Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2011-08-02 US disclosed
EP-1866292-B1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LTD (NZ) 2010-12-15 EP disclosed
US-20100304222-A1 ELECTROLYTE HAVING EUTECTIC MIXTURE AND NITRILE COMPOUND, AND ELECTROCHEMICAL DEVICE CONTAINING THE SAME LG ENERGY SOLUTION, LTD. (KR) 2010-12-02 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments AUCKLAND UNISERVICES LIMITED (NZ) 2009-07-23 US disclosed
EP-1866292-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS Auckland Uniservices Limited (NZ) 2007-12-19 EP disclosed
WO-2006104406-A1 TRICYCLIC 1,2,4-TRIAZINE OXIDES AND COMPOSITIONS THEREFROM FOR THERAPEUTIC USE IN CANCER TREATMENTS AUCKLAND UNISERVICES LIMITED (NZ) 2006-10-05 WO disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ALDH1A1 1111/4885MAPK1 1484/4885TSHR 164/4885
US-20090186886-A1 Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments HIF1AN, HIF1A, HYOU1 ALDH1A1 512/4885MAPK1 2543/4885TSHR 1741/4885

“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.