SCHEMBL6921708

SCHEMBL6921708

CC(C)(C)C(=O)OCC(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.55
USP2 O75604 1/20 0.55
PLOD2 O00469 2/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
AGTR1 P30556 1/20 0.51
CYP2C19 P33261 1/20 0.51
PLOD3 O60568 1/20 0.50
PLOD1 Q02809 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48

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
SCHEMBL27645765 0.81 PLOD2 (0.51) LMNAALDH1A1KMT2AMEN1MAPT
Pibecarb SCHEMBL2109461 0.80 NPC1 (0.56) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL659602 0.79 ALDH1A1 (0.61) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL21082051 0.78 KMT2A (0.59) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3147948 0.75 KMT2A (0.51) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL16398924 0.75 LMNA (0.78) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL905439 0.73 PLOD2 (0.65) LMNAALDH1A1KMT2APLOD2CYP1A2
SCHEMBL29626189 0.73 PLOD2 (0.65) LMNAALDH1A1KMT2APLOD2CYP1A2
SCHEMBL31703901 0.73 LMNA (0.69) LMNAALDH1A1KMT2AMAPTPLOD2
SCHEMBL800635 0.73 LMNA (0.69) LMNAALDH1A1KMT2AMAPTPLOD2

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-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
EP-1153919-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) 2001-11-14 EP 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 LMNA 3951/4885ALDH1A1 184/4885KMT2A 4423/4885

“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.