SCHEMBL6469925

SCHEMBL6469925

[CH2]CCCCOc1ccc(COc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.57
APP P05067 1/20 0.55
MGLL Q99685 1/20 0.54
CHRNA7 P36544 1/20 0.54
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAOB P27338 2/20 0.51
LTA4H P09960 2/20 0.51
BCHE P06276 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL6469931 0.95 APP (0.56) KCNA3APPMGLLCHRNA7LMNA
SCHEMBL17784340 0.93 MGLL (0.58) KCNA3MGLLCHRNA7LMNACYP1A2
SCHEMBL17784357 0.93 MGLL (0.58) KCNA3MGLLCHRNA7LMNACYP1A2
SCHEMBL17784369 0.93 MGLL (0.58) KCNA3MGLLCHRNA7LMNACYP1A2
SCHEMBL17784350 0.93 MGLL (0.58) KCNA3MGLLCHRNA7LMNACYP1A2
SCHEMBL95473 0.87 KCNA3 (0.76) KCNA3HDAC6LTA4HALDH1A1
SCHEMBL4161955 0.85 FOXM1 (0.54) APPMGLLCHRNA7LMNACYP1A2
SCHEMBL8501296 0.85 KCNA3 (0.73) KCNA3HDAC6LTA4HALDH1A1
SCHEMBL94687 0.85 KCNA3 (0.73) KCNA3HDAC6LTA4HALDH1A1
SCHEMBL8495999 0.85 KCNA3 (0.73) KCNA3HDAC6LTA4HALDH1A1

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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound DSM IP ASSETS B.V. (NL) 2005-05-19 US disclosed
EP-1453797-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP Assets B.V. (NL) 2004-09-08 EP disclosed
EP-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP disclosed
WO-2003051827-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY ENRICHED THIO COMPOUND DSM IP ASSETS B.V. (NL) 2003-06-26 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-20050107468-A1 Process for the preparation of an enantiomerically enriched thio compound SLC7A1, TCP1, TFRC KCNA3 2244/4885APP 4488/4885MGLL 4097/4885

“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.