SCHEMBL4449599

SCHEMBL4449599

CCCC(=O)CC(=O)C(C)OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
FFAR3 O14843 3/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL4454621 0.83 TDP1 (0.39)
SCHEMBL17909924 0.82
SCHEMBL6269143 0.78 CES2 (0.39) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16624283 0.73 MGAM (0.46) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL262554 0.73 LDHA (0.38) ALDH1A1FFAR3TSHRLMNA
SCHEMBL4454619 0.73 MGAM (0.46) ALDH1A1TSHR
SCHEMBL3233649 0.73 TSHR (0.32) ALDH1A1TSHRCA1CA2
SCHEMBL21294536 0.73 LDHA (0.38) ALDH1A1FFAR3TSHRLMNA
SCHEMBL16215829 0.72 CES2 (0.52) CES2CES1LMNAMEN1FAAH
SCHEMBL28164796 0.72 HDAC1 (0.39) HDAC3HDAC1HDAC2HDAC8CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595414-B2 complex capable of being used for chemical vapor deposition of thin metal , or metal oxide films UBE INDUSTRIES, LTD. (JP) 2009-09-29 US disclosed
US-20080254216-A1 Metal Complex Compound Comprising B-Diketonato Ligand UBE INDUSTRIES, LTD. (JP) 2008-10-16 US 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-20080254216-A1 Metal Complex Compound Comprising B-Diketonato Ligand CAD, APOB, DBI ALDH1A1 3881/4885HDAC3 2495/4885HDAC1 1412/4885

“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.