SCHEMBL21020008

SCHEMBL21020008

CCc1cccc2c1sc1c(N(C)c3ccccc3C(C)(C)C)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.33
LMNA P02545 2/20 0.33
ADRA2A P08913 2/20 0.33
SLC6A2 P23975 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
NR1I2 O75469 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KIF11 P52732 1/20 0.31
SQLE Q14534 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20172905 0.90 LMNA (0.33) CYP2D6LMNAADRA2ASLC6A2SIGMAR1
SCHEMBL21021486 0.88 POLQ (0.36) CYP2D6LMNASLC6A2NR1I2ACHE
SCHEMBL21020007 0.86 CYP2D6 (0.38) CYP2D6LMNAADRA2ASLC6A2SIGMAR1
SCHEMBL20172907 0.86 KIF11 (0.35) SIGMAR1KIF11TDP1
SCHEMBL20649784 0.86 NR1I2 (0.30) CYP2D6LMNAADRA2ASLC6A2SIGMAR1
SCHEMBL21020012 0.82 TP53 (0.35) CYP2D6CYP1A2CYP2C19TDP1L3MBTL1
SCHEMBL20172878 0.82 GABRA1 (0.37) GABRA1GABRB2KIF11
SCHEMBL20172868 0.82 GPR3 (0.38) LMNAKIF11HTTTDP1L3MBTL1
SCHEMBL21020013 0.81 ALDH1A1 (0.37) CYP2D6CYP1A2CYP2C19L3MBTL1
SCHEMBL20172888 0.81 KIF11 (0.32) KIF11

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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CYP2D6 691/4885LMNA 3923/4885ADRA2A 4236/4885

“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.