SCHEMBL17201722

SCHEMBL17201722

Nc1c(O)ccc2c1Oc1c(ccc(O)c1N)C21OC(=O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.76
GNB1 P62873 1/20 0.76
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
FTO Q9C0B1 3/20 0.56
RECQL P46063 2/20 0.56
BLM P54132 2/20 0.56
PRMT1 Q99873 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
CYP2C19 P33261 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
SMAD3 P84022 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
USP2 O75604 2/20 0.54
THRB P10828 1/20 0.54
CDK2 P24941 1/20 0.54
CHAT P28329 1/20 0.54

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
SCHEMBL5066567 0.87 FTO (0.74) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL30408346 0.87 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL29424349 0.87 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL334144 0.87 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL29942282 0.87 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL3654970 0.84 GNG2 (0.74) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL498536 0.84 GNG2 (0.74) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL112918 0.84 GNG2 (0.74) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL328742 0.84 GNG2 (0.74) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL2300312 0.84 GNG2 (0.74) GNG2GNB1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230184752-A1 FORMATION AND USE OF EMBEDDED SOLUTIONS IN NANOSCALE MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-15 US claimed
US-11531025-B2 Formation and use of embedded solutions in nanoscale materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US claimed
US-20180328921-A1 FORMATION AND USE OF EMBEDDED SOLUTIONS IN NANOSCALE MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-15 US claimed
US-20230184752-A1 FORMATION AND USE OF EMBEDDED SOLUTIONS IN NANOSCALE MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-15 US disclosed
US-11531025-B2 Formation and use of embedded solutions in nanoscale materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
US-20180328921-A1 FORMATION AND USE OF EMBEDDED SOLUTIONS IN NANOSCALE MATERIALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-15 US disclosed
US-20150306238-A1 BACTERIA TARGETING NANOPARTICLES AND RELATED METHODS OF USE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-10-29 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-20150306238-A1 BACTERIA TARGETING NANOPARTICLES AND RELATED METHODS OF USE CD14, CD63, SELP GNG2 396/4885GNB1 231/4885MAPT 3936/4885

“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.