SCHEMBL17482883

SCHEMBL17482883

c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4cccc5oc6ncccc6c45)ccc32)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
BACE1 P56817 6/20 0.36
CTSD P07339 3/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 2/20 0.34
PRKDC P78527 1/20 0.33
AHR P35869 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPY5R Q15761 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
SCHEMBL17483020 0.94 KDM4E (0.39) BACE1CTSDKDM4EALDH1A1GAA
SCHEMBL17482874 0.91 PDK2 (0.38) PDK2BACE1CTSDKDM4EALDH1A1
SCHEMBL17482903 0.91 KDM4E (0.39) BACE1CTSDKDM4EALDH1A1GAA
SCHEMBL17482885 0.90 KDM4E (0.36) BACE1CTSDKDM4EALDH1A1GAA
SCHEMBL17483018 0.85 PDK2 (0.36) PDK2BACE1CTSDKCNH2PRKDC
SCHEMBL17482878 0.81 PDK2 (0.37) PDK2BACE1CTSDKCNH2PRKDC
SCHEMBL17482887 0.81 PDK2 (0.35) PDK2BACE1CTSDKCNH2PRKDC
SCHEMBL17482788 0.80 PDK2 (0.45) PDK2BACE1CTSDKDM4EALDH1A1
SCHEMBL17482779 0.80 PDK2 (0.45) PDK2BACE1CTSDKDM4EALDH1A1
SCHEMBL17482899 0.80 ALOX5 (0.37) BACE1KDM4EALDH1A1AHRMAPT

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.