SCHEMBL6919963

SCHEMBL6919963

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.50
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL27888614 0.80 CHRM2 (0.39)
SCHEMBL5928881 0.78 NFE2L2 (0.48) ALDH1A1LMNA
SCHEMBL28967076 0.76 ELANE (0.49) ELANEALDH1A1LMNA
SCHEMBL10350646 0.76 LMNA (0.60) ELANEALDH1A1LMNAMAPTNPSR1
SCHEMBL29143620 0.76 ELANE (0.64) ELANEALDH1A1LMNAMAPTNPSR1
SCHEMBL16005654 0.75 FABP5 (0.49) ELANEALDH1A1LMNAMAPT
SCHEMBL7052577 0.75 ELANE (0.47) ELANEALDH1A1LMNAMAPTNPSR1
SCHEMBL29143406 0.75 ELANE (0.62) ELANEALDH1A1LMNA
SCHEMBL29607284 0.74 ELANE (0.74) ELANEALDH1A1LMNAMAPTNPSR1
SCHEMBL31387626 0.74 KDM4E (0.47) ALDH1A1LMNAMAPT

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 3 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
US-6515134-B1 A production method of an optically active hydroxyethyl pyridine derivative represented by the general formula which comprises using a microorganism-derived carbonyl reducing enzyme or a culture of a microorganism having an ability of KANEKA CORPORATION (JP) 2003-02-04 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 2841/4885ALDH1A1 184/4885LMNA 3951/4885

“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.