SCHEMBL27050244

SCHEMBL27050244

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc5ccccc5c4O)cc3-c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CDC25B P30305 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 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
SCHEMBL22517548 0.89 ALDH1A1 (0.37) PDK2ALDH1A1MAPTCDC25BHDAC8
SCHEMBL29892218 0.85 PDK2 (0.39) PDK2MAPT
SCHEMBL15713467 0.85 PDK2 (0.39) PDK2MAPT
SCHEMBL22517374 0.84 ALDH1A1 (0.37) PDK2ALDH1A1MAPTCDC25B
SCHEMBL22517274 0.84 ALDH1A1 (0.36) PDK2ALDH1A1MAPT
SCHEMBL17454691 0.84 PDK2 (0.41) PDK2MAPT
SCHEMBL23137801 0.83 ALDH1A1 (0.37) PDK2ALDH1A1MAPTCDC25B
SCHEMBL17760145 0.82 CDC25B (0.41) PDK2ALDH1A1MAPTCDC25B
SCHEMBL17759523 0.82 ALDH1A1 (0.38) PDK2ALDH1A1MAPT
SCHEMBL19153545 0.81 HDAC4 (0.41) PDK2MAPTHDAC4HDAC2HDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025872-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2024-01-25 — — 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-20240025872-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1B1, CYP1A1 PDK2 2186/4885ALDH1A1 8/4885MAPT 1310/4885

“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.

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