SCHEMBL31746196

SCHEMBL31746196

C#CCCC(=O)OCc1cnc(C)c(O)c1COC(=O)CCC#C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNPO Q9NVS9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.34
PTGS1 P23219 1/20 0.34
ACP1 P24666 1/20 0.34
PDE4A P27815 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
HDAC1 Q13547 1/20 0.32
PDXK O00764 1/20 0.31
GAA P10253 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
SCHEMBL21916335 1.00 PNPO (0.41) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL31746185 0.93 PNPO (0.40) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL16013626 0.93 PNPO (0.40) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21916175 0.91 PNPO (0.39) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21916341 0.84 HDAC1 (0.35) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21916597 0.84 HDAC1 (0.35) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL31746195 0.81 PNPO (0.39) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL20502644 0.81 PNPO (0.39) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL21916188 0.81 PNPO (0.39) PNPOALDH1A1HPGDKDM4EHSD17B10
SCHEMBL20143334 0.81 HPGD (0.50) PNPOALDH1A1HPGDKDM4EHSD17B10

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-12503553-B2 Biodegradable drug-polymer conjugate POLYACTIVA PTY LTD (AU) 2025-12-23 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-12503553-B2 Biodegradable drug-polymer conjugate ADRB3, PTGER3, CHRNE PNPO 1542/4885ALDH1A1 1039/4885HPGD 881/4885

“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.