SCHEMBL19915876

SCHEMBL19915876

O=C(n1nnc2cc(C(F)(F)F)ccc21)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.62
PKM P14618 2/20 0.60
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
GALK1 P51570 1/20 0.40
MAPT P10636 3/20 0.40
CES2 O00748 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL19915683 0.88 KCNMA1 (0.49) KCNMA1PKMALDH1A1LMNACES2
SCHEMBL19848307 0.85 KCNMA1 (0.62) KCNMA1PKMALDH1A1LMNAGALK1
SCHEMBL19911622 0.83 KCNMA1 (0.57) KCNMA1PKMALDH1A1L3MBTL1GAA
SCHEMBL19848238 0.82 KDM4E (0.44) KCNMA1PKML3MBTL1GAA
SCHEMBL19911475 0.82 KCNMA1 (0.56) KCNMA1PKMALDH1A1LMNAMAPT
SCHEMBL19848281 0.79 F12 (0.49) KCNMA1ALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL19915883 0.78 KCNMA1 (0.41) KCNMA1PKMALDH1A1GAA
SCHEMBL4963445 0.78 GAA (0.58) KCNMA1ALDH1A1MAPTNPSR1HTT
SCHEMBL19911551 0.77 MGAM (0.49) KCNMA1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL3279805 0.76 PKM (1.00) KCNMA1PKMALDH1A1LMNAGALK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 KCNMA1 525/4885PKM 2292/4885ALDH1A1 3497/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 KCNMA1 525/4885PKM 2292/4885ALDH1A1 3497/4885

“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.