SCHEMBL6746075

SCHEMBL6746075

CC(=O)OCOC(=O)CC=CC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
GLA P06280 1/20 0.45
PAM P19021 1/20 0.44
MAOB P27338 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL6746074 1.00 TDP1 (0.45) TDP1GLAPAMMAOBLMNA
SCHEMBL27553649 0.81 TDP1 (0.50) TDP1GLAPAMMAOBLMNA
SCHEMBL11274670 0.81 CYP4F2 (0.51) TDP1GLAPAMMAOBLMNA
SCHEMBL11274669 0.81 CYP4F2 (0.51) TDP1GLAPAMMAOBLMNA
SCHEMBL6747017 0.81 LMNA (0.49) TDP1GLAMAOBLMNANPC1
SCHEMBL6747013 0.81 LMNA (0.49) TDP1GLAMAOBLMNANPC1
SCHEMBL9512416 0.79 CYP3A4 (0.49) TDP1GLAPAMMAOBLMNA
SCHEMBL27211827 0.77 TDP1 (0.49) TDP1GLAPAMMAOBLMNA
SCHEMBL27211734 0.77 TDP1 (0.49) TDP1GLAPAMMAOBLMNA
SCHEMBL27211775 0.77 TDP1 (0.49) TDP1GLAPAMMAOBLMNA

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 TDP1 1069/4885GLA 94/4885PAM 3182/4885
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME AADAC, ACAT1, EP300 TDP1 1069/4885GLA 94/4885PAM 3182/4885

“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.