SCHEMBL19915684

SCHEMBL19915684

Nn1nnc2ccc(C(F)(F)F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
CYP4Z1 Q86W10 1/20 0.48
CDK2 P24941 1/20 0.46
AKT1 P31749 1/20 0.46
BACE1 P56817 1/20 0.42
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
PDE10A Q9Y233 3/20 0.39
KCNMA1 Q12791 2/20 0.39
GRM2 Q14416 2/20 0.39
CYP11B2 P19099 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE2A O00408 3/20 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
SCHEMBL19848261 0.86 PKM (0.65) PKMALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13373375 0.79 PKM (0.51) PKMBACE1PDE10AKCNMA1GRM2
SCHEMBL16858669 0.79 PKM (0.51) PKMBACE1EPHX2SCN4APDE10A
SCHEMBL1812769 0.79 PKM (0.75) PKMALDH1A1BACE1EPHX2SCN4A
SCHEMBL29693589 0.79 PKM (0.75) PKMALDH1A1BACE1EPHX2SCN4A
SCHEMBL19848402 0.76 PKM (0.49) PKMCDK2BACE1PDE10AKCNMA1
SCHEMBL19915688 0.76 PKM (0.49) PKMBACE1PDE10AKCNMA1GRM2
SCHEMBL19848741 0.76 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL22954104 0.75 PKM (0.47) PKMBACE1EPHX2SCN4APDE10A
SCHEMBL19915939 0.75 PKM (0.47) PKMALDH1A1CYP1A2CDK2PDE10A

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 PKM 2292/4885ALDH1A1 3497/4885CYP1A2 2689/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 PKM 2292/4885ALDH1A1 3497/4885CYP1A2 2689/4885

“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.