SCHEMBL4960558

SCHEMBL4960558

Cc1ccccc1-c1cc(F)cc2c1OC(CN)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.35
GPBAR1 Q8TDU6 3/20 0.34
MAPK14 Q16539 1/20 0.32
HTR2C P28335 3/20 0.32
HTR7 P34969 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
LOX P28300 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30

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
SCHEMBL6105855 0.86 AQP1 (0.34) AQP1HTR2CMAPTHTR2BPRKAB2
SCHEMBL4960551 0.85 AQP1 (0.43) AQP1MAPK14HTR2CMAPTHTR2A
SCHEMBL4961054 0.84 GPBAR1 (0.36) GPBAR1HTR2CHTR7KDM4EHTR2A
SCHEMBL4962866 0.83 HTR7 (0.38) MAPK14HTR2CHTR7MAPTHTR2A
SCHEMBL4962878 0.83 HTR2C (0.36) AQP1HTR2CPOLBMAPTHTR2B
SCHEMBL4963490 0.82 HTR2C (0.35) AQP1HTR2CMAPTMAPK1
SCHEMBL14364285 0.82 AQP1 (0.41) AQP1HTR2CHTR2AHTR2BPRKAB2
SCHEMBL4964730 0.77 AQP1 (0.47) AQP1MAPK14HTR2CHTR2AHTR2B
SCHEMBL4960764 0.77 AQP1 (0.47) AQP1MAPK14HTR2CHTR2AHTR2B
SCHEMBL4959837 0.77 AQP1 (0.47) AQP1MAPK14HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101218223-A Benzodioxane and benzodioxolane derivatives and uses thereof WYETH CORP (US) 2008-07-09 CN disclosed
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 AQP1 1697/4885GPBAR1 345/4885MAPK14 3682/4885

“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.