SCHEMBL16655824

SCHEMBL16655824

CCCC(=O)CP(=O)(O)CC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
FFAR3 O14843 3/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GABBR2 O75899 2/20 0.37
GABBR1 Q9UBS5 2/20 0.37
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
METAP1 P53582 1/20 0.31
GABRR1 P24046 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL2998516 0.80 TSHR (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1313929 0.72
SCHEMBL1313260 0.70 MEN1 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1314710 0.70 MEN1 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL1314042 0.70 MEN1 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
Butane SCHEMBL22042222 0.70 GABBR2 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL10826323 0.70 LMNA (0.38) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL191734 0.69
SCHEMBL8119186 0.69 CES2 (0.60) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL25174 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605297-B2 Method of generating linkage-specific di-and polyprotein probes UNIVERSITY OF DELAWARE (US) 2017-03-28 US disclosed
US-20160237471-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES Universtiy of Delaware (US) 2016-08-18 US disclosed
WO-2015057803-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES ZHUANG ZHIHAO (US) 2015-04-23 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 (1 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-20160237471-A1 METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES USP28, USP36, STUB1 HDAC3 1619/4885HDAC1 1151/4885HDAC2 2302/4885

“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.