SCHEMBL17482887

SCHEMBL17482887

c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5sc6ncccc6c45)ccc32)nc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
BACE1 P56817 4/20 0.35
CTSD P07339 2/20 0.35
KCNH2 Q12809 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PRKDC P78527 1/20 0.31
TGFBR1 P36897 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
SCHEMBL17482905 0.94 LIMK1 (0.32) BACE1CTSD
SCHEMBL17482878 0.91 PDK2 (0.37) PDK2BACE1CTSDKCNH2PIK3CD
SCHEMBL17482880 0.90 LIMK1 (0.34) BACE1CTSD
SCHEMBL17483017 0.85 PDK2 (0.34) PDK2BACE1CTSDKCNH2PIK3CD
SCHEMBL17482874 0.81 PDK2 (0.38) PDK2BACE1CTSDKCNH2PRKDC
SCHEMBL17482883 0.81 PDK2 (0.36) PDK2BACE1CTSDKCNH2PRKDC
SCHEMBL17482908 0.80 ALOX5 (0.36)
SCHEMBL17482779 0.79 PDK2 (0.45) PDK2BACE1CTSDKCNH2PIK3CD
SCHEMBL17482788 0.79 PDK2 (0.45) PDK2BACE1CTSDKCNH2PIK3CD
SCHEMBL17482748 0.77 GRM5 (0.35) PDK2BACE1CTSDKCNH2PRKDC

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-20160035986-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-02-04 US disclosed
US-20160035986-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-02-04 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-20160035986-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 PDK2 2404/4885BACE1 533/4885CTSD 2705/4885

“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.