SCHEMBL24529778

SCHEMBL24529778

C=C(NCC(C)C)/C(C)=C\C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
CNR2 P34972 4/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
CNR1 P21554 2/20 0.33
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL22570009 0.78 CYP2D6 (0.44) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL18624716 0.72
SCHEMBL20363458 0.71 CYP2D6 (0.38) CYP2D6CYP2C19ADH1BADH1CADH1A
SCHEMBL19449481 0.69 TSHR (0.37)
SCHEMBL18743123 0.68 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL19670701 0.68 CNR2 (0.41) CYP2D6CYP2C19ADH1BADH1CADH1A
SCHEMBL20821935 0.67 CYP2D6 (0.31) CYP2D6CYP2C19CNR2PPARGPPARD
SCHEMBL23665700 0.67 CYP2D6 (0.39) CYP2D6CYP2C19MMP1MMP8
SCHEMBL21167819 0.67
SCHEMBL18802668 0.67 CA12 (0.39) MMP1

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-20220193246-A1 COMPOSITIONS FOR TREATING MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS, INC. (US) 2022-06-23 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-20220193246-A1 COMPOSITIONS FOR TREATING MUSCULAR DYSTROPHY UTRN, EDNRA, MTPN CYP2D6 3527/4885CYP2C19 3228/4885ADH1B 3864/4885

“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.