SCHEMBL19848403

SCHEMBL19848403

CCCCn1nnc2ccc(C(F)(F)F)cc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.57
HCAR3 P49019 3/20 0.48
PKM P14618 1/20 0.43
GRM2 Q14416 3/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE2A O00408 1/20 0.40
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
MAPT P10636 1/20 0.38
GPR139 Q6DWJ6 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
SCHEMBL19915942 0.91 SLC9A1 (0.55) SLC9A1HCAR3PKMGRM2KDM4E
SCHEMBL19848183 0.89 HCAR3 (0.58) SLC9A1HCAR3PKMGRM2CNR1
SCHEMBL19915957 0.85 SLC9A1 (0.46) SLC9A1HCAR3PKMGRM2CNR1
SCHEMBL19848153 0.85 SLC9A1 (0.53) SLC9A1HCAR3PKMGRM2KDM4E
SCHEMBL19915956 0.81 SLC9A1 (0.41) SLC9A1HCAR3PKMGRM2PDE2A
SCHEMBL19848592 0.81 SLC9A1 (0.62) SLC9A1HCAR3GRM2ALDH1A1MAPT
SCHEMBL19848725 0.79 PKM (0.56) SLC9A1HCAR3PKMGRM2KDM4E
SCHEMBL19911481 0.79 SLC9A1 (0.64) SLC9A1HCAR3GRM2
SCHEMBL19915690 0.78 PKM (0.44) SLC9A1PKMGRM2KDM4EPDE2A
SCHEMBL19911597 0.78 SLC9A1 (0.62) SLC9A1HCAR3GRM2ALDH1A1MAPT

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 SLC9A1 341/4885HCAR3 4636/4885PKM 2292/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 SLC9A1 341/4885HCAR3 4636/4885PKM 2292/4885

“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.