SCHEMBL20051796

SCHEMBL20051796

CCCC1(CCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP2 O95551 1/20 0.32
APEX1 P27695 1/20 0.32
DGAT1 O75907 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL20989880 1.00 PDK2 (0.37) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL29376474 0.92 PDK2 (0.33) PDK2ALDH1A1TDP2
SCHEMBL26104565 0.92 PDK2 (0.33) PDK2ALDH1A1TDP2
SCHEMBL30396812 0.90 HDAC2 (0.32) PDK2ALDH1A1
SCHEMBL30132162 0.89 PDK2 (0.45) PDK2MAPTL3MBTL1TDP2APEX1
SCHEMBL3289778 0.89 PDK2 (0.45) PDK2MAPTL3MBTL1TDP2APEX1
SCHEMBL16294578 0.89 PDK2 (0.45) PDK2MAPTL3MBTL1TDP2APEX1
SCHEMBL13979699 0.89 MMP2 (0.39) PDK2LTB4R2
SCHEMBL26105343 0.88 RAB9A (0.41) KDM4EALDH1A1MAPT
SCHEMBL11942814 0.88 MMP2 (0.40) PDK2LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2929325-B1 METHOD FOR THE DETECTION OF ANALYTES VIA LUMINESCENCE QUENCHING UNIV QUEENSLAND (AU) 2020-06-24 EP disclosed
US-20190137395-A1 METHOD FOR THE DETECTION OF ANALYTES VIA LUMINESCENCE QUENCHING UNIV QUEENSLAND (AU) 2019-05-09 US disclosed
US-20180100801-A1 METHOD FOR THE DETECTION OF ANALYTES VIA LUMINESCENCE QUENCHING UNIV QUEENSLAND (AU) 2018-04-12 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 (2 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-20190137395-A1 METHOD FOR THE DETECTION OF ANALYTES VIA LUMINESCENCE QUENCHING TYR, MAOA, AS3MT PDK2 4169/4885KDM4E 2197/4885ALDH1A1 1114/4885
US-20180100801-A1 METHOD FOR THE DETECTION OF ANALYTES VIA LUMINESCENCE QUENCHING TYR, MAOA, AS3MT PDK2 4169/4885KDM4E 2197/4885ALDH1A1 1114/4885

“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.