SCHEMBL20249881

SCHEMBL20249881

CC1(c2ccccc2)c2cc(F)ccc2-c2ccc(P(=O)(c3ccccc3)c3ccc4c(c3)C(C)(c3ccccc3)c3cc(F)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
LMNA P02545 1/20 0.35
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
ESR1 P03372 1/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNN4 O15554 1/20 0.30
KCNA5 P22460 1/20 0.30
HSD11B1 P28845 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
SCHEMBL20249876 0.87 PDK2 (0.38) PDK2LMNAAKR1A1AKR1B1ESR1
SCHEMBL20249883 0.86 PDK2 (0.35) PDK2LMNAKIF11MEN1KMT2A
SCHEMBL20249884 0.86 PDK2 (0.37) PDK2LMNAAKR1A1AKR1B1MEN1
SCHEMBL20249889 0.81 PDK2 (0.43) PDK2LMNAAKR1A1AKR1B1KCNN4
SCHEMBL20256603 0.81 KCNA5 (0.39) PDK2LMNAMEN1KMT2AKDM4E
SCHEMBL15213577 0.79 PDK2 (0.50) PDK2AKR1A1AKR1B1MMP2MMP9
SCHEMBL3799675 0.78 LMNA (0.43) LMNAESR1MEN1KMT2AKDM4E
SCHEMBL16544664 0.77 PDK2 (0.43) PDK2AKR1A1AKR1B1MAPTMMP2
SCHEMBL17523190 0.76 LMNA (0.39) LMNAESR1MEN1KMT2AKDM4E
SCHEMBL20249877 0.76 PDK2 (0.38) PDK2LMNAMEN1KMT2AKDM4E

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-20180166639-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-14 US disclosed
US-20180166639-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-14 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-20180166639-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME RCC1, CCNA1, CTCF PDK2 2677/4885LMNA 1158/4885AKR1A1 2256/4885

“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.