SCHEMBL6937314

SCHEMBL6937314

CCOC(=O)CCCOc1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.59
BRD4 O60885 1/20 0.57
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
LTA4H P09960 4/20 0.54
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.52
FAAH O00519 1/20 0.52

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
SCHEMBL16264850 0.95 MEN1 (0.60) MEN1KMT2AL3MBTL1BRD4CYSLTR2
SCHEMBL14570538 0.93 MEN1 (0.59) MEN1KMT2AL3MBTL1BRD4CYSLTR2
SCHEMBL3951838 0.91 L3MBTL1 (0.66) MEN1KMT2AL3MBTL1LTA4HTSHR
SCHEMBL3466988 0.88 CYSLTR2 (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL8981963 0.88 BRD4 (0.56) L3MBTL1BRD4CYSLTR2CYSLTR1LTA4H
SCHEMBL13763460 0.87 TP53 (0.56) MEN1KMT2AL3MBTL1HTTTSHR
SCHEMBL12549253 0.87 LTA4H (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3257350 0.87 BRD4 (0.54) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3267566 0.87 BRD4 (0.54) L3MBTL1BRD4CYSLTR2CYSLTR1LTA4H
SCHEMBL1623579 0.87 BRD4 (0.54) BRD4CYSLTR2CYSLTR1LTA4HMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
WO-2011150079-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY CARNEGIE MELLON UNIVERSITY (US) 2011-12-01 WO disclosed
CN-1190441-C Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2005-02-23 CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MEN1 3545/4885KMT2A 2201/4885L3MBTL1 3485/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MEN1 3545/4885KMT2A 2201/4885L3MBTL1 3485/4885

“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.