SCHEMBL5025519

SCHEMBL5025519

O/C1=C/CCC/C=C/CCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL5025521 1.00 ALDH1A1 (0.33) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5499332 1.00 ALDH1A1 (0.33) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27609354 0.89 HDAC4 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1645488 0.89
SCHEMBL157595 0.89
SCHEMBL27610339 0.80 HDAC4 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1381818 0.80
SCHEMBL261715 0.80
SCHEMBL6897016 0.78 HDAC4 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3888241 0.78

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
EP-1916307-B1 Plant enzymes for bioconversion DAFRA PHARMA RES & DEV BVBA (BE) 2014-02-26 EP disclosed
US-20080124772-A1 Plant enzymes for bioconversion PLANT RESEARCH INTERNATIONAL B.V. 2008-05-29 US disclosed
EP-1916307-A1 Plant enzymes for bioconversion Plant Research International B.V. (NL) 2008-04-30 EP disclosed
US-7214507-B2 Plant enzymes for bioconversion PLANT RESEARCH INTERNATIONAL B.V. (NL) 2007-05-08 US disclosed
US-20050019882-A1 Using plant enzymes for the production of flavor, fragrance, pharmaceutical or bio-control agents from less valuable substrates; terpenoid biosynthesis STICHTING DIENST LANDBOUWKUNDIG ONDERZOEK (NL) 2005-01-27 US disclosed
EP-1427838-A1 PLANT ENZYMES FOR BIOCONVERSION Plant Research International B.V. (NL) 2004-06-16 EP disclosed
WO-2003025193-A1 PLANT ENZYMES FOR BIOCONVERSION PLANT RESEARCH INTERNATIONAL B.V. (NL) 2003-03-27 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-20080124772-A1 Plant enzymes for bioconversion STS, SQLE, CYP51A1 ALDH1A1 479/4885HDAC3 2755/4885HDAC4 2940/4885

“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.