SCHEMBL4983773

SCHEMBL4983773

CCOC(=O)CC(=O)CC(=O)CCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
FAAH O00519 2/20 0.42
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.36
SOAT1 P35610 1/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL54877 0.96 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28359032 0.93 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30381316 0.93 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
Formaldehyde SCHEMBL459758 0.91 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7729694 0.89 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
Trimethylammonium SCHEMBL10940613 0.89 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28650988 0.89 GAA (0.74) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28539237 0.88 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.86 GAA (0.78) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29980003 0.84 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR SLANINA PAVEL 2008-03-20 US disclosed
US-20060167265-A1 Process for making amlodipine, derivatives thereof, and precursors therefor PETERS THEODORUS H 2006-07-27 US disclosed
EP-1577298-A1 Process for determining the purity of amlodipine Bioorganics B.V. (NL) 2005-09-21 EP disclosed
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor PETERS THEODORUS H A (NL) 2005-06-23 US disclosed
US-6858738-B2 Process for making amlodipine, derivatives thereof, and precursors therefor SYNTHON BV (NL) 2005-02-22 US disclosed
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor SYNTHON IP INC. 2003-11-27 US disclosed
US-6653481-B2 Used as calcium channel blockers SYNTHON BV (NL) 2003-11-25 US disclosed
EP-1345901-A2 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR Bioorganics B.V. (NL) 2003-09-24 EP disclosed
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor SYNTHON IP INC. 2002-10-03 US disclosed
WO-2002053535-A2 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR BIOORGANICS B.V. (NL) 2002-07-11 WO 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 (5 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-20060167265-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CYP4A11, CYP4F11, CACNA1D GAA 3690/4885MGAM 1280/4885SI 2264/4885
US-20050137405-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C GAA 4093/4885MGAM 3894/4885SI 3626/4885
US-20030220501-A1 Process for making amlodipine, derivatives thereof, and precursors therefor CACNA1D, CACNA1S, CACNA1C GAA 3822/4885MGAM 3632/4885SI 3317/4885
US-20020143046-A1 Process for making amlodipine, derivatives therof, and precursors therefor CACNA1D, CACNA1F, CACNA1S GAA 3702/4885MGAM 4321/4885SI 3479/4885
US-20080070789-A1 PROCESS FOR MAKING AMLODIPINE, DERIVATIVES THEREOF, AND PRECURSORS THEREFOR CACNA1D, CACNA1F, CYP51A1 GAA 2791/4885MGAM 1778/4885SI 3237/4885

“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.