SCHEMBL21473714

SCHEMBL21473714

CC(C)COC(=O)c1coccc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
ADORA2B P29275 2/20 0.49
ADORA1 P30542 1/20 0.49
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL19640190 0.82 TSHR (0.52) ALDH1A1TSHRADORA2BMAPTNPC1
SCHEMBL10795129 0.81 ALDH1A1 (0.63) ALDH1A1TSHRADORA2BADORA1MAPT
SCHEMBL18396945 0.72 ADORA2B (0.46) ALDH1A1TSHRADORA2BMAPTTDP1
SCHEMBL42787 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL29387332 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL28614232 0.72 TSHR (0.71) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL8144263 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL827863 0.72 TSHR (0.70) ALDH1A1TSHRMAPTSMN1; SMN2NPC1
SCHEMBL110051 0.72 ALDH1A1 (0.64) ALDH1A1TSHRMAPTNPC1HTT
SCHEMBL165370 0.71 ALDH1A1 (0.59) ALDH1A1TSHRADORA2BADORA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-25 US disclosed
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2020-11-03 US disclosed
US-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-08-20 US disclosed
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. 2019-10-17 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 (4 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-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP ALDH1A1 2110/4885TSHR 1803/4885ADORA2B 663/4885
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP ALDH1A1 2110/4885TSHR 1803/4885ADORA2B 663/4885
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP ALDH1A1 2110/4885TSHR 1803/4885ADORA2B 663/4885
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP ALDH1A1 2110/4885TSHR 1803/4885ADORA2B 663/4885

“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.