SCHEMBL2945467

SCHEMBL2945467

C#CC#CC(=O)OCCC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2948756 0.88 ALDH1A1 (0.47) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL2945350 0.87 HCAR2 (0.40) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2949588 0.86 CA12 (0.47) HCAR2ALDH1A1LMNATSHR
SCHEMBL2946420 0.85 NAAA (0.48) HCAR2ALDH1A1LMNATSHR
SCHEMBL2941644 0.83
SCHEMBL2944738 0.82 HCAR2 (0.43) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2941830 0.81 ALDH1A1 (0.42) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL3411726 0.80 CA12 (0.44) HCAR2ALDH1A1TSHR
SCHEMBL2945262 0.79 ACHE (0.35) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2942620 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed
US-20070043002-A1 Aldolase-inhibiting aromatic compounds UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 2007-02-22 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-20070043002-A1 Aldolase-inhibiting aromatic compounds ALDOA, DERA, AKR1B1 HCAR2 974/4885ALDH1A1 17/4885LMNA 2964/4885

“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.