SCHEMBL1007629

SCHEMBL1007629

OCCCCCCCCOCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL3438759 1.00 IDO1 (0.52) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL1007405 1.00 IDO1 (0.52) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL26986089 0.98 IDO1 (0.53) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9574291 0.96 TDP1 (0.53) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL97369 0.96 TDP1 (0.53) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL96692 0.96 TDP1 (0.53) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9574223 0.96 TDP1 (0.53) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL97038 0.94 TDP1 (0.52) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL1007811 0.92 TDP1 (0.50) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL97041 0.92 IDO1 (0.55) IDO1MEN1KMT2AHRH3TDP1

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 IDO1 1380/4885MEN1 2587/4885KMT2A 731/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 IDO1 1380/4885MEN1 2587/4885KMT2A 731/4885

“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.