SCHEMBL21064301

SCHEMBL21064301

CC(C)(C)c1nccc(CC(C)(C)c2cnccn2)n1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32

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
SCHEMBL20782448 0.79 CYP19A1 (0.32) CYP19A1
SCHEMBL24121301 0.77 CYP19A1 (0.35) CYP19A1
SCHEMBL20793023 0.76
SCHEMBL18501682 0.76 NUDT1 (0.33)
SCHEMBL19115660 0.75 CYP19A1 (0.32) CYP19A1
SCHEMBL21191530 0.75 LOXL2 (0.30)
SCHEMBL22856619 0.73 AHR (0.36)
SCHEMBL22639173 0.72
SCHEMBL20656672 0.71 NPC1 (0.42) CYP19A1
SCHEMBL18574401 0.70 CYP1A2 (0.35)

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-20210113491-A1 Compositions comprising Quinone and/or Quinol and methods of preparations and use thereof TCW PT MANAGEMENT COMPANY LLC, AS COLLATERAL AGENT 2021-04-22 US disclosed
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-06-04 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-20210113491-A1 Compositions comprising Quinone and/or Quinol and methods of preparations and use thereof NQO1, SDHA, SDHB CYP19A1 797/4885
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT2 CYP19A1 694/4885

“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.