SCHEMBL22403589

SCHEMBL22403589

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22403707 1.00 PDK2 (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL22403300 0.99 PDK2 (0.37) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL22403298 0.99 PDK2 (0.37) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL24883002 0.97 PDK2 (0.38) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL24883030 0.96 PDK2 (0.39) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL21239089 0.96 PDK2 (0.39) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL22403456 0.95 KDM4E (0.36) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL17816706 0.95 PDK2 (0.38) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL16996073 0.95 PDK2 (0.39) PDK2ESR1ESR2KDM4EMEN1
SCHEMBL24388104 0.94 PDK2 (0.34) PDK2ESR1ESR2KDM4EMEN1

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-20200287140-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-09-10 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-20200287140-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF OR51E2, PIEZO1, OR10J3 PDK2 2689/4885ESR1 7/4885ESR2 94/4885

“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.