SCHEMBL19848261

SCHEMBL19848261

Nn1nnc2cc(C(F)(F)F)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
CYP4Z1 Q86W10 1/20 0.48
KCNMA1 Q12791 2/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.40
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL19915684 0.86 PKM (0.51) PKMALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3279805 0.79 PKM (1.00) PKMALDH1A1MAPTKCNMA1MEN1
SCHEMBL13016550 0.79 PKM (0.65) PKMALDH1A1MAPTKCNMA1MEN1
SCHEMBL19848185 0.76 PKM (0.61) PKMALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL19915874 0.76 PKM (0.61) PKMALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL19911613 0.76 ALDH1A1 (0.53) PKMALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL19915655 0.75 PKM (0.59) PKMALDH1A1MAPTCYP1A2KCNMA1
SCHEMBL19848726 0.75 PKM (0.59) PKMALDH1A1MAPTKCNMA1RAB9A
SCHEMBL19915875 0.75 PKM (0.59) PKMALDH1A1MAPTKCNMA1MEN1
SCHEMBL19848254 0.73 L3MBTL1 (0.60) PKMALDH1A1MAPTCYP1A2CYP3A4

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 4 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
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 PKM 2292/4885ALDH1A1 3497/4885MAPT 1283/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 PKM 2292/4885ALDH1A1 3497/4885MAPT 1283/4885

“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.