SCHEMBL1006460

SCHEMBL1006460

OCCCCCCCCCOc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FAAH O00519 1/20 0.39
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL21388207 0.91 L3MBTL1 (0.48) L3MBTL1TDP1THRATHRBALDH1A1
SCHEMBL3864712 0.87 ALOX5AP (0.44) ALDH1A1MEN1KMT2AFAAHPOLB
SCHEMBL25797658 0.84 THRA (0.40) L3MBTL1TDP1THRATHRBS1PR2
SCHEMBL20013065 0.82 L3MBTL1 (0.42) L3MBTL1TDP1THRATHRBALDH1A1
SCHEMBL9214658 0.82 L3MBTL1 (0.42) L3MBTL1TDP1THRATHRBALDH1A1
SCHEMBL9341108 0.82 THRA (0.53) L3MBTL1TDP1THRATHRBALDH1A1
SCHEMBL1008448 0.81 L3MBTL1 (0.62) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL10458633 0.81 HTR2A (0.50) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL1008467 0.80 LTB4R (0.47) THRATHRBKDM4E
SCHEMBL1282764 0.80 L3MBTL1 (0.43) L3MBTL1TDP1THRATHRBALDH1A1

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 L3MBTL1 1452/4885TDP1 2013/4885THRA 1447/4885
US-20120289554-A1 4-DIMETHYLAMINOBUTYRIC ACID DERIVATIVES CPT1B, CPT1A, CPT2 L3MBTL1 1452/4885TDP1 2013/4885THRA 1447/4885

“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.