SCHEMBL6469931

SCHEMBL6469931

[CH2]CCCOc1ccc(COc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
CHRNA7 P36544 2/20 0.55
KCNA3 P22001 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 3/20 0.53
BCHE P06276 1/20 0.53
LTA4H P09960 2/20 0.53
EPHX2 P34913 1/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL6469925 0.95 KCNA3 (0.57) APPCHRNA7KCNA3LMNACYP1A2
SCHEMBL17784357 0.87 MGLL (0.58) CHRNA7KCNA3LMNACYP1A2PTGS1
SCHEMBL17784340 0.87 MGLL (0.58) CHRNA7KCNA3LMNACYP1A2PTGS1
SCHEMBL17784369 0.87 MGLL (0.58) CHRNA7KCNA3LMNACYP1A2PTGS1
SCHEMBL17784350 0.87 MGLL (0.58) CHRNA7KCNA3LMNACYP1A2PTGS1
SCHEMBL73327 0.86 KCNA3 (0.71) KCNA3HDAC6LTA4H
SCHEMBL11021199 0.85 LTA4H (0.62) APPBCHELTA4HEPHX2MGLL
SCHEMBL6474449 0.85 LMNA (0.62) CHRNA7LMNACYP1A2PTGS1SLC6A2
SCHEMBL5536829 0.84 LTA4H (0.70) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7050035 0.83 LTA4H (0.69) APPCHRNA7KCNA3LMNACYP1A2

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 2 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-1325908-A1 Process for the preparation of an enantiomerically enriched thio compound DSM N.V. (NL) 2003-07-09 EP 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 APP 4488/4885CHRNA7 3894/4885KCNA3 2244/4885

“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.