SCHEMBL19915673

SCHEMBL19915673

CCCCCCCCN(CCCCCCCC)CCn1nnc2ccc(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.46
HCAR3 P49019 2/20 0.38
CYP19A1 P11511 6/20 0.37
ICMT O60725 1/20 0.36
TSHR P16473 2/20 0.36
GLA P06280 1/20 0.36
TDO2 P48775 1/20 0.35
PLA2G4A P47712 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL19915885 0.91 SLC9A1 (0.46) SLC9A1HCAR3CYP19A1ICMT
SCHEMBL19848164 0.90 SLC9A1 (0.45) SLC9A1HCAR3CYP19A1TDO2
SCHEMBL19915671 0.89 SLC9A1 (0.41) SLC9A1CYP19A1ICMTTSHRPLA2G4A
SCHEMBL19848442 0.85 SLC9A1 (0.57) SLC9A1HCAR3TSHRGLA
SCHEMBL19911498 0.83 SLC9A1 (0.50) SLC9A1HCAR3TDO2
SCHEMBL19915656 0.82 SLC9A1 (0.55) SLC9A1HCAR3TSHRGLA
SCHEMBL19911605 0.82 SLC9A1 (0.49) SLC9A1HCAR3TDO2PLA2G4A
SCHEMBL19911630 0.82 SLC9A1 (0.49) SLC9A1HCAR3ICMTTDO2
SCHEMBL19915887 0.80 SLC9A1 (0.41) SLC9A1HCAR3CYP19A1ICMTTSHR
SCHEMBL19911528 0.80 SLC9A1 (0.47) SLC9A1HCAR3PLA2G4AHSD17B10

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 2 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

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 4636/4885CYP19A1 3005/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 SLC9A1 341/4885HCAR3 4636/4885CYP19A1 3005/4885

“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.