SCHEMBL4875322

SCHEMBL4875322

COC(=O)C1CCCc2ccc(N(C)C(=O)OC)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.36
C5AR1 P21730 2/20 0.34
PGR P06401 1/20 0.34
GPR183 P32249 1/20 0.33
ADGRF1 Q5T601 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SYK P43405 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL7222116 0.79 ACHE (0.49) ACHEKDM4EMAPT
SCHEMBL4877854 0.79 ACHE (0.44) ACHE
SCHEMBL14059398 0.79 TDP1 (0.38) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL4873180 0.76 ALDH1A1 (0.42) KDM4EALDH1A1MEN1GAAMAPT
SCHEMBL2166539 0.76 NPC1 (0.44) ACHEKDM4EALDH1A1MEN1MAPT
SCHEMBL2091407 0.74 RXRA (0.48) ALDH1A1MAPT
SCHEMBL23461083 0.72 ACHE (0.45) ACHEKDM4EALDH1A1MEN1GAA
SCHEMBL38662922 0.72 ACHE (0.45) ACHEKDM4EALDH1A1MEN1GAA
SCHEMBL4875547 0.72 SMN1; SMN2 (0.43) ACHEKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7223230 0.71 MAOA (0.58) KDM4EALDH1A1MEN1GAAMAPT

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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS ACHE 3918/4885C5AR1 3571/4885PGR 1836/4885

“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.