SCHEMBL26564909

SCHEMBL26564909

CCCC(CC)C(=O)Oc1ccc(OC(=O)C(CC)CCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GAA P10253 1/20 0.55
XBP1 P17861 1/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
ESR1 P03372 2/20 0.43
HIF1A Q16665 2/20 0.43

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
SCHEMBL26566779 0.93 GAA (0.50) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL7906121 0.91 ATM (0.48) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL22238635 0.90 GAA (0.48) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL27865850 0.90 ATM (0.47) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL3469737 0.89 HDAC3 (0.53) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL25028668 0.84 HDAC3 (0.55) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL26985478 0.83 L3MBTL1 (0.61) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL27314199 0.83 L3MBTL1 (0.65) HDAC1HDAC2NPSR1GAAXBP1
SCHEMBL7914370 0.83 HDAC1 (0.54) HDAC1HDAC2ATML3MBTL1HDAC3
SCHEMBL14159389 0.83 GAA (0.48) HDAC1HDAC2NPSR1GAAXBP1

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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC HDAC1 4408/4885HDAC2 4614/4885NPSR1 755/4885

“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.