SCHEMBL16349899

SCHEMBL16349899

CC(C)CCC(=O)NCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ LMNA P02545 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ NAAA Q02083 1/20 0.36
▸ CA1 P00915 4/20 0.35
▸ GLP1R P43220 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34

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
SCHEMBL19431099 0.98 MEN1 (0.47) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL13616087 0.91 MEN1 (0.53) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL11912086 0.89 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL21029891 0.88 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL11912094 0.88 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL11912095 0.88 MEN1 (0.50) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL22566699 0.87 GLP1R (0.50) ALDH1A1MEN1KMT2AHPGDCNR1
SCHEMBL23378212 0.87 CNR1 (0.50) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL14159308 0.87 CNR1 (0.50) MEN1KMT2AHPGDCNR1CNR2
SCHEMBL12019236 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 — — US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 — — US disclosed
US-7879588-B2 Protein-proteophore complexes ASCENDIS PHARMA A/S (DK) 2011-02-01 — — 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 (2 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-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 ALDH1A1 1271/4885MEN1 4859/4885KMT2A 1295/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 ALDH1A1 1271/4885MEN1 4859/4885KMT2A 1295/4885

“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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