SCHEMBL584236

SCHEMBL584236

Cc1c(F)cc(CCCO)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.43
CYP4A11 Q02928 2/20 0.37
CYP4F2 P78329 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA2 P00918 2/20 0.35
PTGS2 P35354 4/20 0.33
FFAR4 Q5NUL3 2/20 0.33
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.33
BCHE P06276 1/20 0.33
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL584939 0.82 TNKS2 (0.41) TNKS2CYP4A11CYP4F2CA2PTGS2
SCHEMBL18553018 0.81 PTGS1 (0.40) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL21357521 0.80 TNKS2 (0.48) TNKS2CA2PTGS2FFAR4CYP3A4
SCHEMBL584320 0.78 TNKS2 (0.39) TNKS2CYP4A11CYP4F2CA2FFAR4
SCHEMBL38659514 0.78 TNKS2 (0.39) TNKS2CYP4A11HDAC1HDAC6CA2
SCHEMBL586296 0.78 DAO (0.46) CYP4A11CYP4F2HDAC1HDAC6CA2
SCHEMBL584312 0.78 TNKS2 (0.51) TNKS2CYP4A11CYP4F2PTGS2FFAR4
SCHEMBL19193337 0.77 TNKS2 (0.46) TNKS2CYP4A11CYP4F2NPC1HPGD
SCHEMBL4547660 0.77 ACHE (0.42) CYP4A11CYP4F2HDAC1HDAC6
SCHEMBL26759286 0.76 HDAC1 (0.50) MAPK1NPSR1HDAC1HDAC6FFAR4

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 TNKS2 4817/4885CYP4A11 304/4885CYP4F2 601/4885

“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.