SCHEMBL4803759

SCHEMBL4803759

[CH2]C(O)c1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
AOC3 Q16853 1/20 0.54
HTT P42858 3/20 0.43
TSHR P16473 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL4825484 0.83 PTGS1 (0.58) PTGS1PTGS2AOC3HTTTSHR
SCHEMBL17541509 0.80 PTGS1 (0.64) PTGS1PTGS2AOC3HTTALOX5
SCHEMBL19287601 0.80 PTGS1 (0.64) PTGS1PTGS2AOC3HTTALOX5
SCHEMBL14376154 0.80 PTGS1 (0.64) PTGS1PTGS2AOC3HTTALOX5
SCHEMBL2453938 0.79 PTGS1 (0.50) PTGS1PTGS2AOC3HTTTSHR
SCHEMBL22785949 0.77 AOC3 (0.64) PTGS1PTGS2AOC3HTTTSHR
SCHEMBL22785898 0.77 AOC3 (0.64) PTGS1PTGS2AOC3HTTTSHR
SCHEMBL12181345 0.76 PTGS1 (0.50) PTGS1PTGS2AOC3HTTTSHR
SCHEMBL14777215 0.76 PTGS1 (0.58) PTGS1PTGS2AOC3HTTMAPT
SCHEMBL14787788 0.76 PTGS1 (0.58) PTGS1PTGS2AOC3HTTMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO 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 (2 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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R PTGS1 670/4885PTGS2 2022/4885AOC3 3951/4885
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR PTGS1 1445/4885PTGS2 899/4885AOC3 613/4885

“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.