SCHEMBL24325565

SCHEMBL24325565

CC(C)C(=O)OCCOC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
TDP1 Q9NUW8 2/20 0.63
ALDH1A1 P00352 1/20 0.55
PKM P14618 2/20 0.54
MAPK1 P28482 2/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ELANE P08246 1/20 0.49

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
SCHEMBL12865776 0.90 ESR1 (0.53) LMNATDP1ALDH1A1PKMMAPK1
SCHEMBL13839064 0.90 PDCD1 (0.58) LMNATDP1ALDH1A1PKMKMT2A
SCHEMBL137486 0.86 TDP1 (0.83) LMNATDP1ALDH1A1MAPK1HIF1A
SCHEMBL17928312 0.85 LMNA (0.55) LMNATDP1ALDH1A1MAPK1HIF1A
SCHEMBL26356276 0.84 LMNA (0.59) LMNATDP1ALDH1A1PKMMAPK1
SCHEMBL13292516 0.84 TDP1 (0.79) LMNATDP1ALDH1A1MAPK1HIF1A
SCHEMBL547137 0.84 TDP1 (0.79) LMNATDP1ALDH1A1MAPK1HIF1A
SCHEMBL28286830 0.84 TDP1 (0.79) LMNATDP1ALDH1A1MAPK1HIF1A
SCHEMBL16217656 0.84 TDP1 (0.79) LMNATDP1ALDH1A1MAPK1HIF1A
SCHEMBL2695470 0.84 LMNA (0.62) LMNATDP1ALDH1A1PKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-09-28 US disclosed
US-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2022-04-21 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 (2 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-20220119426-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 LMNA 1373/4885TDP1 787/4885ALDH1A1 3872/4885
US-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 LMNA 1373/4885TDP1 787/4885ALDH1A1 3872/4885

“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.