SCHEMBL13971487

SCHEMBL13971487

N[C@H](C=O)[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ RECQL P46063 7/20 0.59
▸ MAPT P10636 6/20 0.59
▸ BLM P54132 6/20 0.59
▸ LMNA P02545 5/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ THPO P40225 2/20 0.59
▸ HIF1A Q16665 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MTOR P42345 1/20 0.59
▸ ADRA1A P35348 2/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ MAPK1 P28482 3/20 0.53

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
SCHEMBL13971484 1.00 TDP1 (0.59) TDP1KDM4ERECQLMAPTBLM
SCHEMBL7192542 0.79 TDP1 (0.50) TDP1KDM4ERECQLMAPTBLM
SCHEMBL20361608 0.79 TDP1 (0.50) TDP1KDM4ERECQLMAPTBLM
SCHEMBL19771234 0.78 TDP1 (0.70) TDP1KDM4ERECQLMAPTBLM
SCHEMBL19771233 0.78 TDP1 (0.70) TDP1KDM4ERECQLMAPTBLM
SCHEMBL29102057 0.77 TDP1 (0.68) TDP1KDM4ERECQLMAPTBLM
SCHEMBL1332823 0.76 TDP1 (0.48) TDP1KDM4ERECQLMAPTBLM
SCHEMBL29374017 0.76 TDP1 (0.48) TDP1KDM4ERECQLMAPTBLM
Levonordefrin SCHEMBL119171 0.75 TDP1 (1.00) TDP1KDM4ERECQLMAPTBLM
Nordefrin SCHEMBL249722 0.75 TDP1 (1.00) TDP1KDM4ERECQLMAPTBLM

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-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 — — US disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 — — WO 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 TDP1 2620/4885KDM4E 729/4885RECQL 4397/4885

“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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