SCHEMBL20172940

SCHEMBL20172940

CN(c1ccccc1C(F)(F)F)c1cccc2c1sc1c([Si](C)(C)C)cccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PARP1 P09874 1/20 0.30
KIF11 P52732 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
SCHEMBL20172923 0.90 ACP1 (0.34) ACP1CYP1A2CYP2D6CYP2C9CLK4
SCHEMBL20172935 0.88 KIF11 (0.31) KIF11
SCHEMBL20172922 0.86 ACP1 (0.35) ACP1CYP1A2CYP2D6CYP2C9CLK4
SCHEMBL20172942 0.85 SIGMAR1 (0.30)
SCHEMBL20172890 0.83 ACP1 (0.33) ACP1CYP1A2CYP2D6CYP2C9CLK4
SCHEMBL20172912 0.83 ACP1 (0.33) ACP1CYP1A2CYP2D6CYP2C9CLK4
SCHEMBL20172880 0.83 ACP1 (0.33) ACP1CYP1A2CYP2D6CYP2C9CLK4
SCHEMBL20172939 0.83 ALDH1A1 (0.31)
SCHEMBL20172943 0.81 EPHX2 (0.32) ACP1
SCHEMBL20172874 0.81 GPR3 (0.36) ACP1CYP1A2CYP2D6CYP2C9CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ACP1 4508/4885CYP1A2 356/4885CYP2D6 694/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ACP1 4663/4885CYP1A2 563/4885CYP2D6 691/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACP1 4508/4885CYP1A2 356/4885CYP2D6 694/4885

“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.