SCHEMBL22799632

SCHEMBL22799632

C=CCOCCCOCc1ccccc1C(=O)N[C@@H](CC=C)C(=O)NOC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CAPN1 P07384 1/20 0.33
▸ HDAC3 O15379 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ LIG1 P18858 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PYGL P06737 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL22800166 0.98 L3MBTL1 (0.36) ICMTL3MBTL1TDP1CAPN1HDAC3
SCHEMBL22800223 0.96 ICMT (0.36) ICMTL3MBTL1TDP1CAPN1HDAC3
SCHEMBL22800186 0.91 ICMT (0.37) ICMTTDP1CAPN1HDAC3HDAC1
SCHEMBL22800074 0.80 ICMT (0.35) ICMTL3MBTL1TDP1CAPN1LIG1
SCHEMBL22799631 0.77 ALDH1A1 (0.46) L3MBTL1LIG1KDM4EHSD17B10KMT2A
SCHEMBL22799711 0.76 CAPN1 (0.47) CAPN1HDAC3HDAC1KDM4EHSD17B10
SCHEMBL22800173 0.75 ALDH1A1 (0.46) L3MBTL1LIG1KDM4EHSD17B10MEN1
SCHEMBL22799717 0.74 CAPN1 (0.47) CAPN1HDAC3HDAC1KDM4EHSD17B10
SCHEMBL22799629 0.73 L3MBTL1 (0.46) L3MBTL1LIG1HSD17B10KMT2ACYP3A4
SCHEMBL22800168 0.72 L3MBTL1 (0.47) L3MBTL1LIG1HSD17B10KMT2ACYP3A4

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 ICMT 4672/4885L3MBTL1 3891/4885TDP1 1499/4885

“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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