SCHEMBL22760865

SCHEMBL22760865

CC/C=C\C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC1OC(n2ccc(N)nc2=O)C(F)(F)C1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.56
PDE3A Q14432 1/20 0.56
SLC29A1 Q99808 1/20 0.56
POLA1 P09884 2/20 0.55
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
MTOR P42345 1/20 0.37
MDM2 Q00987 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL22765433 0.95 PDE4D (0.58) PDE4DPDE3ASLC29A1POLA1ITGB3
Gemcitabine Elaidate SCHEMBL582036 0.90 PDE4D (0.56) PDE4DPDE3ASLC29A1POLA1ITGB3
Gemcitabine Elaidate SCHEMBL26225695 0.90 PDE4D (0.56) PDE4DPDE3ASLC29A1POLA1ITGB3
Gemcitabine Elaidate SCHEMBL582035 0.90 PDE4D (0.56) PDE4DPDE3ASLC29A1POLA1ITGB3
Gemcitabine Elaidate SCHEMBL582034 0.90 PDE4D (0.56) PDE4DPDE3ASLC29A1POLA1ITGB3
Gemcitabine Elaidate SCHEMBL14460099 0.90 PDE4D (0.56) PDE4DPDE3ASLC29A1POLA1ITGB3
SCHEMBL21849051 0.89 PDE4D (0.63) PDE4DPDE3ASLC29A1POLA1ITGB3
SCHEMBL4931963 0.88 PDE3A (0.62) PDE4DPDE3ASLC29A1POLA1ITGB3
SCHEMBL15197943 0.88 PDE4D (0.62) PDE4DPDE3ASLC29A1POLA1ITGB3
SCHEMBL16366570 0.88 POLA1 (0.52) PDE4DPDE3ASLC29A1POLA1ITGB3

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-20200384007-A1 LIPID NANOPARTICLES CONTAINING PHARMACEUTICAL AND/OR NUTRACEUTICAL AGENTS AND METHODS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-10 US disclosed
WO-2020247912-A1 LIPID NANOPARTICLES CONTAINING PHARMACEUTICAL AND/OR NUTRACEUTICAL AGENTS AND METHODS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-12-10 WO 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-20200384007-A1 LIPID NANOPARTICLES CONTAINING PHARMACEUTICAL AND/OR NUTRACEUTICAL AGENTS AND METHODS THEREOF GSTO1, LIPC, PHOSPHO1 PDE4D 1843/4885PDE3A 1985/4885SLC29A1 152/4885

“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.