SCHEMBL4286233

SCHEMBL4286233

O=C1CCCCCC1c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MMP13 P45452 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAOA P21397 1/20 0.39
FAAH O00519 1/20 0.38
EPHX1 P07099 1/20 0.38
MCL1 Q07820 1/20 0.38
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL30479180 0.98 MAPT (0.46) MAPTCYP1A2RECQLKDM4EMMP13
SCHEMBL4137088 0.98 MAPT (0.46) MAPTCYP1A2RECQLKDM4EMMP13
SCHEMBL4063122 0.79 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3
SCHEMBL15874614 0.79 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3
SCHEMBL28417815 0.79 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3
SCHEMBL15660493 0.79 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3
SCHEMBL30882060 0.79 SLC18A3 (0.50) MAPTKDM4EMCL1SLC18A3
SCHEMBL19993836 0.78 DDB1 (0.43) CYP1A2SLC6A2SLC6A4SLC6A3
SCHEMBL190786 0.77 SLC18A3 (0.51) MAPTKDM4EMCL1SLC18A3
SCHEMBL15874652 0.77 SLC18A3 (0.51) MAPTKDM4EMCL1SLC18A3

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-8436005-B2 Macrocyclic pyrimidine derivatives ABBOTT LABORATORIES (US) 2013-05-07 US disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US 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-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP MAPT 2013/4885CYP1A2 1655/4885RECQL 114/4885

“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.