SCHEMBL6746067

SCHEMBL6746067

CC(=O)OCOC(=O)/C=C/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
AKR1B10 O60218 3/20 0.58
AKR1B1 P15121 3/20 0.58
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 4/20 0.53
CA12 O43570 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.50
APP P05067 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL6746068 1.00 LMNA (0.61) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL9855964 0.91 LMNA (0.71) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL9855968 0.91 LMNA (0.71) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL6747013 0.89 LMNA (0.49) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL6747017 0.89 LMNA (0.49) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL20719894 0.87 AKR1B10 (0.71) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL20719893 0.87 AKR1B10 (0.71) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL15673280 0.85 LMNA (0.63) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL10071614 0.85 LMNA (0.63) LMNAAKR1B10AKR1B1GLATDP1
SCHEMBL1192078 0.85 LMNA (0.63) LMNAAKR1B10AKR1B1GLATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720445-B2 PHENYLPROPIOLOYLOXYMETHYL ACETATE, FOR EXAMPLE; TREATING CANCER, HEMOLOGICAL DISORDERS AND INHERITED METABOLIC DISORDERS; INHIBITORS OF HISTONE DEACETYLASE BEACON LABORATORIES, INC. 2004-04-13 US disclosed
US-6699902-B2 ANTICANCER AGENTS BEACON LABORATORIES, INC. 2004-03-02 US disclosed
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME ERRANT GENE THERAPEUTICS, LLC 2002-10-31 US disclosed
US-20020119996-A1 Novel acetyloxymethyl esters and methods for using the same BEACON LABORATORIES, A DELAWARE CORPORATION 2002-08-29 US disclosed
EP-1216984-A1 Novel acetyloxymethyl esters and methods for using same Beacon Laboratories, Inc. (US) 2002-06-26 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 (2 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-20020119996-A1 Novel acetyloxymethyl esters and methods for using the same AADAC, ACAT1, EP300 LMNA 1914/4885AKR1B10 455/4885AKR1B1 426/4885
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME AADAC, ACAT1, EP300 LMNA 1914/4885AKR1B10 455/4885AKR1B1 426/4885

“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.