SCHEMBL21392728

SCHEMBL21392728

CC(C)(CC(C)(C)n1ccnc1)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.50
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 4/20 0.41
CYP17A1 P05093 3/20 0.41
QPCT Q16769 2/20 0.39
NFKB1 P19838 2/20 0.39
HSD17B10 Q99714 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
IDH1 O75874 1/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
KCNN4 O15554 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33
ABCB11 O95342 1/20 0.33
EGFR P00533 1/20 0.33
CA2 P00918 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
SCHEMBL28843269 0.91 TBXAS1 (0.47) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL13919194 0.87 TBXAS1 (0.45) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19785772 0.86 TBXAS1 (0.44) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL4338960 0.84 TBXAS1 (0.49) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL14415940 0.83 TBXAS1 (0.53) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL28328253 0.82 TBXAS1 (0.50) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL26660791 0.82 TBXAS1 (0.51) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL21361846 0.82 TBXAS1 (0.47) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
Iodide SCHEMBL27677678 0.82 TBXAS1 (0.47) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1
Bromide SCHEMBL28286964 0.82 TBXAS1 (0.47) TBXAS1CYP11B1CYP11B2CYP19A1CYP17A1

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
CN-116162112-A N-heterocyclic carbene type cyclometalated platinum complex of oxidized iso-aporphine alkaloid and synthetic method and application thereof 广西师范大学 2023-05-26 CN claimed
CN-116162112-A N-heterocyclic carbene type cyclometalated platinum complex of oxidized iso-aporphine alkaloid and synthetic method and application thereof 广西师范大学 2023-05-26 CN disclosed
CN-116162112-A N-heterocyclic carbene type cyclometalated platinum complex of oxidized iso-aporphine alkaloid and synthetic method and application thereof 广西师范大学 2023-05-26 CN disclosed
US-20190292450-A1 Precursor Based Method of Synthesis and Fabrication of Hybrid Lighting Phosphors with High Quantum Efficiency, and Significantly Enhanced Thermal and Photostability NATIONAL SCIENCE FOUNDATION 2019-09-26 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 (1 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-20190292450-A1 Precursor Based Method of Synthesis and Fabrication of Hybrid Lighting Phosphors with High Quantum Efficiency, and Significantly Enhanced Thermal and Photostability DCX, ZKSCAN2, CAD TBXAS1 3949/4885CYP11B1 4772/4885CYP11B2 4657/4885

“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.