SCHEMBL584629

SCHEMBL584629

CCCCOC(=O)CCc1cc(F)c(Cl)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 2/20 0.41
EPHX2 P34913 3/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL584877 0.88 DGKA (0.46) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL585842 0.84 ALOX5 (0.43) DGKAALDH1A1TDP1ESR1THRA
SCHEMBL584295 0.83 DGKA (0.41) DGKAALDH1A1TDP1ESR1KDM4E
SCHEMBL28968060 0.78 TDP1 (0.53) DGKAALDH1A1TDP1L3MBTL1
SCHEMBL9228444 0.77 ESR1 (0.59) DGKAALDH1A1TDP1ESR1APP
SCHEMBL7680938 0.77 DGKA (0.46) DGKAALDH1A1TDP1ESR1THRA
SCHEMBL1491069 0.76 APP (0.42) ALDH1A1TDP1L3MBTL1EPHX2APP
SCHEMBL1568950 0.76 APP (0.42) ALDH1A1TDP1L3MBTL1APP
SCHEMBL19194036 0.75 THRA (0.47) DGKAALDH1A1TDP1L3MBTL1THRA
SCHEMBL25254942 0.75 MTNR1A (0.39) APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R DGKA 4288/4885ALDH1A1 1460/4885TDP1 4431/4885

“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.