SCHEMBL23344663

SCHEMBL23344663

COc1cc(OC)cc(-c2cccc(C(=O)NC3CCN(P(=O)(OCC(C)C)C(C)(C)C)CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGDS O60760 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
CCR3 P51677 1/20 0.41
DRD4 P21917 1/20 0.41
USP30 Q70CQ3 1/20 0.41
ERN1 O75460 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 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
SCHEMBL408161 0.90 MCHR1 (0.46) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL21316775 0.88 DRD2 (0.45) MCHR1ALDH1A1HPGDSTSHRCCR3
SCHEMBL408142 0.85 ALDH1A1 (0.51) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL23347872 0.83 ALDH1A1 (0.45) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL409337 0.82 MAPK1 (0.48) MCHR1ALDH1A1HPGDSTSHRLMNA
SCHEMBL23347871 0.81 MCHR1 (0.46) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL22000952 0.81 MCHR1 (0.46) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL16219434 0.80 ALDH1A1 (0.54) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL14655021 0.80 ALDH1A1 (0.49) MCHR1ALDH1A1HPGDSTSHRPOLB
SCHEMBL19981405 0.80 ALDH1A1 (0.52) MCHR1ALDH1A1HPGDSTSHRPOLB

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-20210139897-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS SAREPTA THERAPEUTICS, INC. 2021-05-13 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-20210139897-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB MCHR1 4395/4885ALDH1A1 2803/4885HPGDS 1795/4885

“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.