SCHEMBL6748085

SCHEMBL6748085

CC(=O)OCOC(=O)[C@@H](O)SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
IDO1 P14902 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6748087 0.78 L3MBTL1 (0.53) ALDH1A1CYP1A2CYP2C9L3MBTL1SMN1; SMN2
SCHEMBL11599376 0.78 ALDH1A1 (0.41) ALDH1A1POLBCYP1A2CYP2C9L3MBTL1
SCHEMBL3294142 0.76 PPARG (0.47) POLBCYP1A2L3MBTL1PPARGPPARA
Hydrochloric Acid SCHEMBL7054009 0.74 PPARG (0.46) POLBCYP1A2L3MBTL1PPARGPPARA
SCHEMBL11545644 0.73 PPARG (0.47) ALDH1A1POLBCYP1A2CYP2C9L3MBTL1
SCHEMBL17928599 0.73 ALDH1A1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2TDP1THRB
SCHEMBL24977618 0.71 PPARG (0.46) ALDH1A1POLBCYP1A2CYP2C9L3MBTL1
Glycolic Acid SCHEMBL9427710 0.70 CYP2C19 (0.44) POLBCYP1A2L3MBTL1PPARGPPARA
E1501 SCHEMBL28531202 0.70 ALDH1A1 (0.79) ALDH1A1L3MBTL1PPARGPPARASMN1; SMN2
SCHEMBL13491150 0.70 EPHX1 (0.56) POLBL3MBTL1PPARGPPARAATM

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 ALDH1A1 211/4885POLB 646/4885CYP1A2 1738/4885
US-20020161045-A1 NOVEL ACETYLOXYMETHYL ESTERS AND METHODS FOR USING THE SAME AADAC, ACAT1, EP300 ALDH1A1 211/4885POLB 646/4885CYP1A2 1738/4885

“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.