SCHEMBL19164652

SCHEMBL19164652

Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(Br)c1-c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.43
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ELANE P08246 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL23222655 0.95 PDK2 (0.44) PDK2MAOBMAOAESR1ESR2
SCHEMBL16544762 0.95 PDK2 (0.44) PDK2MAOBMAOAESR1ESR2
SCHEMBL23222875 0.87 PDK2 (0.44) PDK2LMNANPSR1NPC1RAB9A
SCHEMBL23222578 0.87 PDK2 (0.48) PDK2MAOBMAOAESR1ESR2
SCHEMBL19164172 0.86 PDK2 (0.50) PDK2ESR1ESR2LMNAPOLB
SCHEMBL19172174 0.85 PDK2 (0.45) PDK2ESR1ESR2LMNACYP1A2
SCHEMBL19164110 0.84 PDK2 (0.51) PDK2ESR1ESR2LMNAPOLB
SCHEMBL24406658 0.84 PDK2 (0.44) PDK2MAOBMAOAESR1ESR2
SCHEMBL20618647 0.83 PDK2 (0.46) PDK2MAOBMAOAESR1ESR2
SCHEMBL20687343 0.83 PDK2 (0.38) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2017-07-27 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-20170213978-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME OR51E2, OR10J3, ESR1 PDK2 1279/4885MAOB 410/4885MAOA 568/4885

“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.