SCHEMBL5898746

SCHEMBL5898746

O=C(OC(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
MAPK1 P28482 1/20 0.56
KIF11 P52732 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HPGD P15428 2/20 0.46
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.44
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL5898749 1.00 LMNA (0.56) LMNAMAPK1KIF11CES2CES1
SCHEMBL28478636 0.85 ESR1 (0.52) LMNAMAPK1KIF11CES2CES1
SCHEMBL6375764 0.85 ESR1 (0.52) LMNAMAPK1KIF11CES2CES1
SCHEMBL6375768 0.85 ESR1 (0.52) LMNAMAPK1KIF11CES2CES1
SCHEMBL6377979 0.85 ESR1 (0.52) LMNAMAPK1KIF11CES2CES1
SCHEMBL10430301 0.83 KIF11 (0.42) LMNAMAPK1KIF11CES2CES1
SCHEMBL9364713 0.83 BLM (0.44) LMNAMAPK1KIF11ESR1ESR2
SCHEMBL9364723 0.83 BLM (0.44) LMNAMAPK1KIF11ESR1ESR2
SCHEMBL10430217 0.83 IDO1 (0.51) LMNAMAPK1KIF11CES2CES1
SCHEMBL10200437 0.82 ESR1 (0.49) LMNAMAPK1KIF11ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069091-A9 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2006-03-30 US disclosed
US-20050124612-A1 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. 2005-06-09 US disclosed
US-6861416-B2 Oxazinones and methods for their use and synthesis CHIROLOGIX PHARMACEUTICALS, INC. (CA) 2005-03-01 US disclosed
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for CHIROLOGIX PHARMACEUTICALS, INC (CA) 2004-02-05 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 (3 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-20060069091-A9 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE LMNA 4106/4885MAPK1 4167/4885KIF11 3597/4885
US-20050124612-A1 Oxazinones and methods for their use and synthesis DHPS, COASY, SQLE LMNA 4106/4885MAPK1 4167/4885KIF11 3597/4885
US-20040023956-A1 New intermediates and synthetic methods for the stereospecific synthesis of oxazinone compounds, which are useful, for example, as antibiotics. The invention also pertains to novel olefinic oxazinone compounds, methods for SQLE, DHPS, COASY LMNA 4459/4885MAPK1 4180/4885KIF11 3420/4885

“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.