SCHEMBL31298035

SCHEMBL31298035

CC(C)CCCN(C)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ HDAC6 Q9UBN7 7/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ MLYCD O95822 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL16941093 0.90 NAMPT (0.56) CDK4CCND1NAMPTHDAC6MEN1
SCHEMBL25702642 0.85 CDK4 (0.48) CDK4CCND1NAMPTHDAC6HDAC1
SCHEMBL11210960 0.84 HDAC6 (0.59) CDK4CCND1HDAC6MEN1KMT2A
SCHEMBL8641718 0.84 HDAC6 (0.59) CDK4CCND1HDAC6MEN1KMT2A
SCHEMBL23696645 0.84 HPGD (0.48) CDK4CCND1NAMPTHDAC6MLYCD
SCHEMBL24847487 0.83 MEN1 (0.45) NAMPTHDAC6MEN1KMT2AMLYCD
SCHEMBL1003650 0.82 NAMPT (0.55) CDK4CCND1NAMPTHDAC6MEN1
SCHEMBL17317100 0.82 CDK4 (0.46) CDK4CCND1HDAC6NPC1MLYCD
SCHEMBL11210779 0.82 KMT2A (0.56) CDK4CCND1HDAC6MEN1KMT2A
SCHEMBL1002785 0.81 NAMPT (0.56) CDK4CCND1NAMPTHDAC6MEN1

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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 — — 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 CDK4 533/4885CCND1 730/4885NAMPT 2024/4885

“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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