SCHEMBL1009668

SCHEMBL1009668

O=C(O)CCCCCCCOCCOc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.62
▸ HDAC2 Q92769 6/20 0.62
▸ PPARA Q07869 3/20 0.62
▸ PLA2G4B P0C869 2/20 0.56
▸ KCNA3 P22001 1/20 0.53
▸ HDAC3 O15379 3/20 0.53
▸ HDAC4 P56524 3/20 0.53
▸ HDAC7 Q8WUI4 3/20 0.53
▸ HDAC10 Q969S8 3/20 0.53
▸ HDAC11 Q96DB2 3/20 0.53
▸ HDAC8 Q9BY41 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC9 Q9UKV0 3/20 0.53
▸ HDAC5 Q9UQL6 3/20 0.53
▸ FFAR1 O14842 1/20 0.53
▸ ALB P02768 1/20 0.51

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
SCHEMBL1139655 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL557510 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL6342300 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL11616532 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL11790866 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL25228768 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL712775 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL503552 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL1008297 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3
SCHEMBL8864468 0.91 PPARA (0.72) HDAC1HDAC2PPARAKCNA3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268606-B1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-08-06 — — EP disclosed
US-8344027-B2 4-dimethylaminobutyric acid derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-01 — — US disclosed
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES ANDJELKOVIC MIRJANA (CH) 2012-11-15 — — US disclosed
EP-2268606-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-01-05 — — EP disclosed
WO-2009132978-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 — — WO disclosed
US-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-10-29 — — 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 (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-20090270505-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC1 360/4885HDAC2 213/4885PPARA 103/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 HDAC1 360/4885HDAC2 213/4885PPARA 103/4885

“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.

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