SCHEMBL7052577

SCHEMBL7052577

CC(O)c1ncccc1OC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.47
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
ADRB2 P07550 1/20 0.37
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL29808848 0.75 PLAU (0.46) LMNAMAPT
SCHEMBL28825255 0.75 PLAU (0.46) LMNAMAPT
SCHEMBL1132844 0.75 PLAU (0.46) LMNAMAPT
SCHEMBL6919963 0.75 ELANE (0.50) ELANELMNAALDH1A1MAPTNPSR1
SCHEMBL28967076 0.74 ELANE (0.49) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL10350646 0.74 LMNA (0.60) ELANELMNAALDH1A1MAPTNPSR1
SCHEMBL16005654 0.73 FABP5 (0.49) ELANELMNAALDH1A1MAPT
SCHEMBL7758117 0.72 GRM5 (0.44) LMNAALDH1A1
SCHEMBL29607284 0.72 ELANE (0.74) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL6925509 0.72 ELANE (0.46) ELANELMNAALDH1A1CYP3A4HIF1A

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-6642387-B2 Dehalogenation esterification; efficient; no toxic materials KANEKA CORPORATION (JP) 2003-11-04 US disclosed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 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-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same ADRB3, ADRB2, ADRB1 ELANE 2841/4885LMNA 3951/4885ALDH1A1 184/4885

“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.