SCHEMBL22800781

SCHEMBL22800781

C/C=C/C[C@H](NC(=O)c1ccccc1COCCOCC)C(O)C(=O)NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HTT P42858 2/20 0.33
▸ ICMT O60725 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL22800782 0.82 ICMT (0.37) CAPN1ALDH1A1KDM4EHTTICMT
SCHEMBL22800780 0.76 ICMT (0.37) CAPN1ALDH1A1KDM4EHTTICMT
SCHEMBL22800194 0.71 CAPN1 (0.47) CAPN1KDM4EICMTHPGDMEN1
SCHEMBL13180284 0.67 MEN1 (0.53) ALDH1A1KDM4EHTTLMNAPKM
SCHEMBL22800135 0.65 CAPN1 (0.49) CAPN1ICMT
SCHEMBL28715040 0.63 MEN1 (0.47) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL14009429 0.62 PTK2 (0.46) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL22799711 0.61 CAPN1 (0.47) CAPN1ALDH1A1KDM4EHPGDMEN1
SCHEMBL22799717 0.61 CAPN1 (0.47) CAPN1KDM4EHTTHPGDMEN1
SCHEMBL25271329 0.61 MEN1 (0.45) ALDH1A1KDM4EHTTLMNAPKM

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 3/4885ALDH1A1 3918/4885KDM4E 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.

Send feedback