SCHEMBL22799717

SCHEMBL22799717

C=CC[C@@H](C=O)NC(=O)c1ccccc1COCCCCOC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.47
▸ KDM4E B2RXH2 3/20 0.42
▸ CTSS P25774 4/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ PRMT5 O14744 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
SCHEMBL22799711 0.98 CAPN1 (0.47) CAPN1KDM4ECTSSMEN1KMT2A
SCHEMBL22800135 0.89 CAPN1 (0.49) CAPN1CTSSCTSKCTSB
SCHEMBL22800194 0.88 CAPN1 (0.47) CAPN1KDM4ECTSSMEN1KMT2A
SCHEMBL22800133 0.77 LIG1 (0.46) CAPN1KDM4ECTSSMEN1KMT2A
SCHEMBL22800999 0.77 CAPN1 (0.47) CAPN1CTSSHTTCTSK
SCHEMBL22800166 0.76 L3MBTL1 (0.36) CAPN1KDM4EMEN1KMT2AHTT
SCHEMBL22800186 0.75 ICMT (0.37) CAPN1KDM4EMEN1KMT2AHDAC3
SCHEMBL22799838 0.74 ALDH1A1 (0.51) CAPN1KDM4EMEN1KMT2A
SCHEMBL22800173 0.72 ALDH1A1 (0.46) KDM4EMEN1KMT2AHTTSMN1; SMN2
SCHEMBL22800187 0.70 ALDH1A1 (0.47) KDM4EKMT2AHTTSMN1; SMN2HPGD

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 CAPN1 3/4885KDM4E 1957/4885CTSS 200/4885

“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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