SCHEMBL4965160

SCHEMBL4965160

COc1cccc(-c2cc(Cl)cc3c2OC(CN)O3)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6105736 0.89 MAP2 (0.39)
SCHEMBL6104331 0.83 ALDH1A1 (0.40) KDM4ELMNAALDH1A1HPGDTDP1
SCHEMBL4961206 0.82 ADRA1D (0.43) KDM4ELMNAPRKAB2PRKAG1PRKAA2
SCHEMBL4961201 0.82 ADRA1D (0.43) KDM4ELMNAPRKAB2PRKAG1PRKAA2
SCHEMBL6104448 0.81 DPP4 (0.40)
SCHEMBL4961854 0.80 HDAC4 (0.37) KDM4ELMNAALDH1A1HPGDTDP1
SCHEMBL4965174 0.80 KDM4E (0.37) GAAKDM4ELMNAP2RX7ALDH1A1
SCHEMBL4961086 0.79 NR3C1 (0.35) GAALMNAP2RX7ALDH1A1MAPT
SCHEMBL4234389 0.78 PRKAB2 (0.55) GAAKDM4ELMNAPRKAB2PRKAG1
SCHEMBL4961054 0.78 GPBAR1 (0.36) KDM4EALDH1A1CNR1MAPK1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871759-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116158-A1 BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 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-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A GAA 4052/4885KDM4E 2229/4885LMNA 2921/4885

“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.