SCHEMBL23009402

SCHEMBL23009402

CC(C)CC(=O)CC(=O)C1(F)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23009454 0.84 CYP2C19 (0.38) CYP2C19ALDH1A1TDP1
SCHEMBL23009388 0.78 DGAT1 (0.33) CYP2C19
SCHEMBL23009421 0.78 CYP2C19 (0.34) CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL23009404 0.78 MME (0.31)
SCHEMBL23009409 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL23009403 0.71 MME (0.33) SMN1; SMN2
Cyclohexane SCHEMBL10719730 0.71 CYP2C19 (0.52) CYP2C19ALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL21970964 0.69 POLB (0.42) CYP2C19
SCHEMBL1924519 0.68 ALDH1A1 (0.53) CYP2C19ALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL23009529 0.68 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2

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-20210047354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-02-18 US disclosed
EP-3778614-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-02-17 EP 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-20210047354-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, LEF1, EPCAM CYP2C19 862/4885ALDH1A1 31/4885TDP1 2941/4885

“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.