SCHEMBL19915946

SCHEMBL19915946

CCC(C)n1nnc2cc(C#N)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.58
HPGD P15428 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
ALOX5AP P20292 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
S1PR1 P21453 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CYP11B2 P19099 4/20 0.35
CYP11B1 P15538 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CYP19A1 P11511 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
SCHEMBL19848434 0.89 HCAR3 (0.51) HCAR3HPGDHCAR2ALDH1A1HRH3
SCHEMBL19848477 0.85 HCAR3 (0.54) HCAR3HPGDHCAR2ALOX5APKDM4E
SCHEMBL29771229 0.85 HCAR3 (0.54) HCAR3HPGDHCAR2ALOX5APKDM4E
SCHEMBL19848521 0.79 HCAR3 (0.63) HCAR3HPGDHCAR2ALDH1A1KMT2A
SCHEMBL21991683 0.78 HCAR3 (0.62) HCAR3HPGDHCAR2KDM4EALDH1A1
SCHEMBL19911585 0.78 HCAR3 (0.62) HCAR3HPGDHCAR2KDM4EALDH1A1
SCHEMBL19911616 0.78 HCAR3 (0.62) HCAR3HPGDHCAR2ALDH1A1GLA
SCHEMBL19848478 0.76 HCAR3 (0.54) HCAR3KDM4EALDH1A1GLAGAA
SCHEMBL19848416 0.75 HCAR3 (0.59) HCAR3HPGDHCAR2ALDH1A1GAA
SCHEMBL19911500 0.75 HCAR3 (0.59) HCAR3HPGDHCAR2ALDH1A1GAA

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 HCAR3 4636/4885HPGD 2179/4885HCAR2 4697/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 HCAR3 4636/4885HPGD 2179/4885HCAR2 4697/4885

“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.