SCHEMBL1453100

SCHEMBL1453100

CCC1(CC)c2cc(B(O)O)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MGLL Q99685 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
ENPP2 Q13822 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL15399921 0.87 LIPG (0.36) PDK2CA1CA2MGLLKDM4E
SCHEMBL16556476 0.85 LIPG (0.39) PDK2CA1CA2MGLLLPL
SCHEMBL29957011 0.84 CA1 (0.38) PDK2CA1CA2MGLLCYP1A2
SCHEMBL430235 0.84 CA1 (0.38) PDK2CA1CA2MGLLCYP1A2
SCHEMBL5841679 0.84 PDK2 (0.43) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL25671262 0.81 PDK2 (0.38) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13914895 0.81 PDK2 (0.36) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17678560 0.81 PDK2 (0.42) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13534621 0.80 PDK2 (0.35) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13907680 0.80 ALDH1A1 (0.37) PDK2KDM4EALDH1A1CYP1A2CYP3A4

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-7910228-B2 Materials for organic light-emitting diodes ACADEMIA SINICA (TW) 2011-03-22 US disclosed
US-20090134783-A1 Materials for organic light-emitting diodes ACADEMIA SINICA (TW) 2009-05-28 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-20090134783-A1 Materials for organic light-emitting diodes EML4, CRY1, CRY2 PDK2 2014/4885CA1 4400/4885CA2 4503/4885

“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.