SCHEMBL13039628

SCHEMBL13039628

O=C(CCC(=O)C1=CCCCC1)C1=CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.55
HDAC4 P56524 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
CTSK P43235 1/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CCR2 P41597 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
GSTP1 P09211 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL11359675 0.88 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL3938618 0.88 HDAC2 (0.48) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11179042 0.86 HDAC4 (0.47) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11179045 0.86 HDAC4 (0.47) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL11179047 0.86 HDAC4 (0.47) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL3627377 0.86 HDAC2 (0.43) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL9070544 0.85 HDAC4 (0.46) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL10653198 0.84 HDAC2 (0.53) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL9005223 0.83 HDAC2 (0.44) HDAC2HDAC4HDAC8HDAC6CTSK
SCHEMBL2883722 0.83 HDAC4 (0.44) HDAC2HDAC4HDAC8HDAC6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 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 (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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD HDAC2 341/4885HDAC4 163/4885HDAC8 126/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD HDAC2 341/4885HDAC4 163/4885HDAC8 126/4885

“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.