SCHEMBL6747784

SCHEMBL6747784

CC(=O)OCOC(=O)C#Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.44
VCP P55072 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR1 O14842 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
HSP90AA1 P07900 1/20 0.38
AGTR1 P30556 1/20 0.38
PAX8 Q06710 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL776404 0.82 NPSR1 (0.52) NPSR1ALDH1A1VCPCYP3A4CYP2D6
SCHEMBL852513 0.81 GAA (0.50) NPSR1VCPFFAR1NPC1RAB9A
SCHEMBL27967652 0.78 LMNA (0.51) NPSR1ALDH1A1VCPCYP3A4FFAR1
SCHEMBL777600 0.78 NPSR1 (0.53) NPSR1ALDH1A1VCPMAPTFFAR1
SCHEMBL5680676 0.77 TSHR (0.53) NPSR1ALDH1A1VCPCYP3A4CYP2D6
SCHEMBL9679306 0.76 ALDH1A1 (0.52) NPSR1ALDH1A1FFAR1NPC1RAB9A
SCHEMBL124863 0.74 NPSR1 (0.55) NPSR1ALDH1A1VCPFFAR1NPC1
SCHEMBL27545848 0.74 ALDH1A1 (0.48) NPSR1ALDH1A1CYP3A4CYP2D6MAPT
SCHEMBL9865487 0.73 CYP3A4 (0.50) NPSR1ALDH1A1VCPCYP3A4MAPT
Acetic Acid SCHEMBL26931321 0.73 NPSR1 (0.46) NPSR1ALDH1A1VCPMAPTFFAR1

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 NPSR1 4533/4885ALDH1A1 211/4885VCP 2116/4885
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME AADAC, ACAT1, EP300 NPSR1 4533/4885ALDH1A1 211/4885VCP 2116/4885

“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.