SCHEMBL13971705

SCHEMBL13971705

CNC(C=O)C(O)c1c(C)cnc(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 1/20 0.34
▸ PDXK O00764 1/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ ACP1 P24666 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ P2RX1 P51575 1/20 0.30
▸ P2RX2 Q9UBL9 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
SCHEMBL14948150 0.77 — —
SCHEMBL14944841 0.72 ADRB2 (0.32) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL13971486 0.69 — —
SCHEMBL5666549 0.67 PNPO (0.38) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL8835556 0.64 KDM4E (0.59) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL13972053 0.64 MME (0.32) —
SCHEMBL8265770 0.63 KDM4E (0.62) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL11013377 0.62 PDXK (0.44) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL9656230 0.61 KDM4E (0.45) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL29952515 0.59 KDM4E (0.49) KDM4EMEN1ALDH1A1LMNAHPGD

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-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 — — 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-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS KDM4E 729/4885MEN1 127/4885ALDH1A1 3637/4885

“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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