SCHEMBL20172912

SCHEMBL20172912

CN(c1ccccc1C(F)(F)F)c1cccc2c1sc1c(C(C)(C)C)cccc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
KIF11 P52732 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
RORC P51449 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
SCHEMBL20172918 0.94 HDAC3 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172922 0.93 ACP1 (0.35) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172907 0.91 KIF11 (0.35) KIF11
SCHEMBL20172874 0.87 GPR3 (0.36) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172890 0.86 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172911 0.86 ALDH1A1 (0.33) KIF11
SCHEMBL20172880 0.86 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20649761 0.85 KIF11 (0.31) ACP1KIF11HDAC6HDAC3HDAC4
SCHEMBL20172909 0.84 GABRA1 (0.37) KIF11
SCHEMBL20172888 0.83 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 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 4508/4885KIF11 3028/4885CYP1A2 356/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ACP1 4663/4885KIF11 1480/4885CYP1A2 563/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACP1 4508/4885KIF11 3028/4885CYP1A2 356/4885

“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.