SCHEMBL5076559

SCHEMBL5076559

CCCCOC(=O)Oc1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
THRB P10828 3/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRA P10827 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE4A P27815 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPK1 P28482 2/20 0.41
ESR1 P03372 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL17473094 0.87 TSHR (0.50) ELANETHRBTSHRL3MBTL1TDP1
SCHEMBL17473164 0.85 THRB (0.56) ELANETHRBTSHRL3MBTL1TDP1
SCHEMBL17473138 0.85 THRB (0.57) ELANETHRBTSHRL3MBTL1TDP1
SCHEMBL17473100 0.84 TSHR (0.50) ELANETHRBTSHRL3MBTL1TDP1
SCHEMBL154085 0.84 TSHR (0.50) ELANETHRBTSHRL3MBTL1TDP1
SCHEMBL17472986 0.84 THRB (0.63) THRBTHRASMN1; SMN2KDM4EHIF1A
SCHEMBL17473016 0.83 LMNA (0.51) THRBTSHRTHRACYP1A2CYP2D6
SCHEMBL17473055 0.83 THRB (0.62) THRBTHRASMN1; SMN2KDM4EHIF1A
SCHEMBL17473180 0.83 THRB (0.62) THRBTHRASMN1; SMN2KDM4EHIF1A
SCHEMBL17473028 0.83 THRB (0.62) THRBTHRASMN1; SMN2KDM4EHIF1A

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-7405219-B2 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-07-29 US disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 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-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ELANE 4675/4885THRB 340/4885TSHR 185/4885

“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.