SCHEMBL5744737

SCHEMBL5744737

O=Cc1cccc(OC2CCCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
HDAC4 P56524 3/20 0.43
MEF2D Q14814 3/20 0.43
EP300 Q09472 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KAT6A Q92794 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 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
SCHEMBL3748275 1.00 SRC (0.46) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL3893959 0.98 SRC (0.47) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL21459754 0.97 SRC (0.49) SRCMAOAMAOBHDAC4MEF2D
3-Hydroxybenzaldehyde SCHEMBL6559274 0.93 POLB (0.47) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL2692882 0.91 SRC (0.50) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL29956659 0.91 SRC (0.50) SRCMAOAMAOBHDAC4MEF2D
SCHEMBL15172613 0.84 HRH1 (0.57) SRCMAOAMAOB
SCHEMBL28375410 0.84 SRC (0.44) SRCMAOAMAOBKMT2AMEN1
SCHEMBL677449 0.83 HDAC4 (0.40) HDAC4MEF2DHPGDKMT2AMEN1
SCHEMBL676970 0.83 HDAC4 (0.40) HDAC4MEF2DHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067529-B2 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors HOFFMANN-LA ROCHE INC. (US) 2006-06-27 US disclosed
EP-1631551-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
US-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors BOLIN DAVID ROBERT (US) 2004-12-23 US disclosed
WO-2004101528-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE AS GFAT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 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-20040259910-A1 Glutamine fructose-y-phosphate amidotransferase (GFAT) inhibitors GFPT1, GLS2, GLS SRC 4208/4885MAOA 1371/4885MAOB 1173/4885

“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.