SCHEMBL4136122

SCHEMBL4136122

COC(=O)C1CCCC(c2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.43
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 3/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL4059047 0.97 TP53 (0.49) TP53L3MBTL1POLBSLC6A4SLC6A3
SCHEMBL5897596 0.91 POLB (0.45) TP53L3MBTL1POLBSLC6A4SLC6A3
SCHEMBL5896950 0.81 TLR4 (0.49) TP53L3MBTL1TSHR
SCHEMBL5897010 0.81 POLB (0.46) POLBKDM4ETSHR
SCHEMBL3974812 0.78 CYP1A2 (0.43)
SCHEMBL3338887 0.77 MEN1 (0.45) POLBSLC6A4SLC6A3SLC6A2
SCHEMBL16179411 0.76 TP53 (0.62) TP53L3MBTL1TSHR
SCHEMBL6762506 0.76 TP53 (0.62) TP53L3MBTL1TSHR
SCHEMBL5897594 0.76 MMP1 (0.46) TP53L3MBTL1SLC6A4SLC6A3SLC6A2
SCHEMBL5896818 0.76 GPBAR1 (0.48) TP53SLC6A4SLC6A3SLC6A2

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 3 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
WO-2009123967-A1 5,6,7,8-TETRAHYDROQUINAZOLIN-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4 RECEPTOR MODULATORS FOR THE TREATMENT OF ASTHMA ABBOTT LABORATORIES (US) 2009-10-08 WO 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 TP53 184/4885L3MBTL1 1680/4885POLB 50/4885

“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.