SCHEMBL585756

SCHEMBL585756

CCCCOC(=O)/C=C/c1cc(F)c(OC)cc1F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
APP P05067 5/20 0.49
ATM Q13315 1/20 0.49
AKR1B10 O60218 5/20 0.48
AKR1B1 P15121 5/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL585757 1.00 ALOX5 (0.50) ALOX5APPATMAKR1B10AKR1B1
SCHEMBL2352080 0.86 MAOB (0.53) ALOX5AKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL584558 0.81 APP (0.48) ALOX5APPATMAKR1B10AKR1B1
SCHEMBL584559 0.81 APP (0.48) ALOX5APPATMAKR1B10AKR1B1
SCHEMBL6792876 0.80 APP (0.53) APPATMAKR1B10AKR1B1KDM4E
SCHEMBL6792878 0.80 APP (0.53) APPATMAKR1B10AKR1B1KDM4E
SCHEMBL1614877 0.78 KDM4E (0.73) ATMAKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL19244312 0.78 KDM4E (0.73) ATMAKR1B10AKR1B1KDM4EALDH1A1
SCHEMBL8942198 0.77 APP (0.50) ALOX5APPATMAKR1B10AKR1B1
SCHEMBL8942199 0.77 APP (0.50) ALOX5APPATMAKR1B10AKR1B1

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 ALOX5 650/4885APP 1433/4885ATM 4876/4885

“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.