SCHEMBL4875356

SCHEMBL4875356

CCOC(=O)C1CCCc2c(C)cc(C)cc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR4 O00206 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
UGT2B17 O75795 2/20 0.39
POLB P06746 1/20 0.36

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
SCHEMBL7220081 0.93 MAPT (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7753041 0.80 SMN1; SMN2 (0.45) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL14173702 0.75 ALDH1A1 (0.47) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7714519 0.75 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7776804 0.73 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL321283 0.72 TLR4 (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL12606807 0.72 TLR4 (0.52) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL109461 0.70 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1GAA
Ethylene SCHEMBL10579767 0.69 TLR4 (0.50) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL7127498 0.69 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1GAA

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 MAPT 1465/4885MEN1 2195/4885KMT2A 2423/4885

“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.