SCHEMBL24403836

SCHEMBL24403836

CC(C)C(=O)Cc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 10/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ SMAD3 P84022 1/20 0.58
▸ PRMT1 Q99873 1/20 0.58
▸ ACE2 Q9BYF1 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ GSTP1 P09211 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALOX12 P18054 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL23192496 0.88 FTO (0.62) FTOMAPTMEN1HTTKMT2A
SCHEMBL1539101 0.86 FTO (0.63) FTOMAPTMEN1HTTKMT2A
SCHEMBL24736659 0.85 FTO (0.62) FTOMAPTMEN1HTTKMT2A
SCHEMBL20227447 0.85 FTO (0.58) FTOMAPTMEN1HTTKMT2A
SCHEMBL20438524 0.84 FTO (0.66) FTOMAPTMEN1HTTKMT2A
SCHEMBL8813305 0.83 FTO (0.67) FTOMAPTMEN1HTTKMT2A
SCHEMBL21309677 0.83 FTO (0.58) FTOMAPTMEN1HTTKMT2A
SCHEMBL13637241 0.82 FTO (0.63) FTOMAPTMEN1HTTKMT2A
SCHEMBL4599673 0.82 FTO (0.66) FTOMAPTMEN1HTTKMT2A
SCHEMBL29496646 0.82 FTO (0.66) FTOMAPTMEN1HTTKMT2A

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-11325944-B2 Macrocyclic peptides and derivatives thereof with opioid activity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-05-10 — — 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-11325944-B2 Macrocyclic peptides and derivatives thereof with opioid activity OPRL1, OPRM1, OPRK1 FTO 2283/4885MAPT 2181/4885MEN1 4375/4885

“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