SCHEMBL21164111

SCHEMBL21164111

C=CC(=O)OCC(CC)(COC(=O)c1ccccc1)COC(O)C=C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HIF1A Q16665 2/20 0.51
THRB P10828 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2D6 P10635 2/20 0.41
HTR1A P08908 1/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39

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
SCHEMBL822601 0.90 MAPK1 (0.63) MAPK1HIF1ATHRBTDP1SLC6A3
SCHEMBL10026131 0.87 THRB (0.54) MAPK1HIF1ATHRBALDH1A1SMN1; SMN2
SCHEMBL16314606 0.87 THRB (0.54) MAPK1HIF1ATHRBALDH1A1SMN1; SMN2
SCHEMBL27058521 0.85 MAPK1 (0.47) MAPK1HIF1ATHRBTDP1ALDH1A1
SCHEMBL890407 0.85 MAPK1 (0.56) MAPK1HIF1ATHRBTDP1SLC6A3
SCHEMBL20192056 0.85 MAPK1 (0.56) MAPK1HIF1ATHRBTDP1SLC6A3
SCHEMBL13477884 0.83 THRB (0.57) MAPK1HIF1ATHRBALDH1A1SMN1; SMN2
SCHEMBL16142139 0.83 MAPK1 (0.54) MAPK1HIF1ATHRBTDP1SLC6A3
SCHEMBL16314554 0.81 ALDH1A1 (0.58) MAPK1HIF1ATHRBALDH1A1SMN1; SMN2
SCHEMBL21318094 0.80 ESR1 (0.51) MAPK1HIF1ATHRBTDP1CYP2D6

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-20190209690-A9 Bioreducible Poly (Beta-Amino Ester)s For siRNA Delivery THE JOHNS HOPKINS UNIVERSITY (US) 2019-07-11 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-20190209690-A9 Bioreducible Poly (Beta-Amino Ester)s For siRNA Delivery AARS1, SLC43A1, PHAX MAPK1 4050/4885HIF1A 691/4885THRB 1361/4885

“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.