SCHEMBL30278688

SCHEMBL30278688

COC(=O)[C@H](CCCC=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
MDM2 Q00987 1/20 0.42
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21895832 1.00 ALDH1A1 (0.46) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL21895831 1.00 ALDH1A1 (0.46) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL10166837 0.86 ALDH1A1 (0.42) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL11773628 0.86 ALDH1A1 (0.55) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL8446739 0.84 TP53 (0.51) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL30278697 0.84 ALDH1A1 (0.48) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL8655705 0.84 HTT (0.51) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL8655711 0.84 HTT (0.51) ALDH1A1HTTTP53KDM4EGLA
SCHEMBL7349189 0.83 ALDH1A1 (0.64) ALDH1A1TP53KDM4EGLAPOLB
SCHEMBL7349201 0.83 ALDH1A1 (0.64) ALDH1A1TP53KDM4EGLAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 CN disclosed
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 ALDH1A1 3772/4885HTT 1853/4885TP53 3050/4885

“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.