SCHEMBL19911458

SCHEMBL19911458

CCCCCCCCN(CCCCCCCC)CCn1nnc2cc(C)c(C)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.46
HCAR3 P49019 3/20 0.42
MGAM O43451 5/20 0.40
AMY1A P0DUB6 5/20 0.40
GAA P10253 5/20 0.40
SI P14410 5/20 0.40
MGAM2 Q2M2H8 5/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL19911460 0.88 MGAM (0.41) SLC9A1HCAR3MGAMAMY1AGAA
SCHEMBL28675633 0.86 SLC9A1 (0.60) SLC9A1HCAR3MGAMAMY1AGAA
SCHEMBL28669951 0.86 SLC9A1 (0.60) SLC9A1HCAR3MGAMAMY1AGAA
SCHEMBL28650701 0.86 SLC9A1 (0.60) SLC9A1HCAR3MGAMAMY1AGAA
SCHEMBL19911498 0.84 SLC9A1 (0.50) SLC9A1HCAR3GAARAB9A
SCHEMBL19911486 0.84 SLC9A1 (0.50) SLC9A1HCAR3RAB9A
SCHEMBL19911445 0.82 SLC9A1 (0.58) SLC9A1HCAR3MGAMAMY1AGAA
SCHEMBL19911623 0.81 SLC9A1 (0.49) SLC9A1HCAR3GRM2
SCHEMBL19911591 0.81 SLC9A1 (0.49) SLC9A1HCAR3NPC1
SCHEMBL19911605 0.81 SLC9A1 (0.49) SLC9A1HCAR3NPC1RAB9AALDH1A1

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
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US 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 SLC9A1 341/4885HCAR3 4636/4885MGAM 3479/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 SLC9A1 341/4885HCAR3 4636/4885MGAM 3479/4885

“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.