SCHEMBL22800074

SCHEMBL22800074

C=CCOCCOCc1ccccc1C(=O)N[C@@H](CC=C)C(=O)N(C)OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.35
▸ CAPN1 P07384 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LIG1 P18858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ JAK3 P52333 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ UTS2R Q9UKP6 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL22799633 0.86 LIG1 (0.44) LIG1TDP1LMNAKDM4EMEN1
SCHEMBL22800223 0.84 ICMT (0.36) ICMTCAPN1L3MBTL1LIG1TDP1
SCHEMBL22800072 0.83 CAPN1 (0.34) ICMTCAPN1LIG1TDP1KDM4E
SCHEMBL22800780 0.82 ICMT (0.37) ICMTCAPN1TDP1JAK3BTK
SCHEMBL22800166 0.80 L3MBTL1 (0.36) ICMTCAPN1L3MBTL1LIG1TDP1
SCHEMBL22799632 0.80 ICMT (0.35) ICMTCAPN1L3MBTL1LIG1TDP1
SCHEMBL22799765 0.79 MAPT (0.35) TDP1JAK3BTKLMNAUTS2R
SCHEMBL22799780 0.79 CAPN1 (0.36) ICMTCAPN1KMT2A
SCHEMBL22800153 0.79 PTGER4 (0.34) CAPN1KMT2A
SCHEMBL22799659 0.75 ALDH1A1 (0.48) LIG1CYP3A4LMNAKDM4EHTT

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 4672/4885CAPN1 3/4885L3MBTL1 3891/4885

“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