SCHEMBL22800186

SCHEMBL22800186

C=CCCCOCc1ccccc1C(=O)N[C@@H](CC=C)C(=O)NOC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL22799632 0.91 ICMT (0.35) ICMTTDP1KDM4EALDH1A1CAPN1
SCHEMBL22800166 0.91 L3MBTL1 (0.36) ICMTTDP1KDM4EALDH1A1CAPN1
SCHEMBL22800223 0.89 ICMT (0.36) ICMTTDP1KDM4EALDH1A1CAPN1
SCHEMBL22800187 0.77 ALDH1A1 (0.47) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL22799717 0.75 CAPN1 (0.47) KDM4ECAPN1HDAC3HDAC1MEN1
SCHEMBL22799711 0.75 CAPN1 (0.47) KDM4EALDH1A1CAPN1HDAC3HDAC1
SCHEMBL22800074 0.73 ICMT (0.35) ICMTTDP1KDM4ECAPN1MEN1
SCHEMBL22800185 0.73 ALDH1A1 (0.47) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL22800227 0.72 CYP4F2 (0.39) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL22799768 0.72 CYP4F2 (0.39) KDM4EALDH1A1MEN1HPGDKMT2A

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 4672/4885TDP1 1499/4885KDM4E 1957/4885

“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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