SCHEMBL584536

SCHEMBL584536

CCCCOC(=O)CCc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DAO P14920 1/20 0.42
EPHX2 P34913 2/20 0.40
PPARA Q07869 2/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ESR1 P03372 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PPARD Q03181 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CNR1 P21554 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
SCHEMBL793963 0.87 CYP4F2 (0.52) APPL3MBTL1DAOEPHX2SMN1; SMN2
SCHEMBL27788071 0.84 DAO (0.43) TDP1ALDH1A1L3MBTL1DAOPPARA
SCHEMBL1069159 0.79 APP (0.46) APPTDP1ALDH1A1L3MBTL1EPHX2
SCHEMBL28968060 0.77 TDP1 (0.53) TDP1ALDH1A1L3MBTL1PPARASMN1; SMN2
SCHEMBL584575 0.76 FFAR1 (0.51) DAOEPHX2MRGPRX4
SCHEMBL16770734 0.75 DAO (0.52) DAOGLASMN1; SMN2CNR1
SCHEMBL1568952 0.75 ALDH1A1 (0.44) TDP1ALDH1A1EPHX2THRATHRB
SCHEMBL439039 0.75 DGKA (0.50) APPEPHX2CNR1
SCHEMBL1491069 0.75 APP (0.42) APPTDP1ALDH1A1L3MBTL1EPHX2
SCHEMBL584295 0.74 DGKA (0.41) APPTDP1ALDH1A1DAOALOX5

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 APP 1433/4885TDP1 4431/4885ALDH1A1 1460/4885

“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.