SCHEMBL20172890

SCHEMBL20172890

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
HSD11B1 P28845 1/20 0.32
KIF11 P52732 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
NR1I2 O75469 1/20 0.32
NR3C1 P04150 1/20 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 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL20172922 0.90 ACP1 (0.35) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172888 0.89 KIF11 (0.32) KIF11ALDH1A1POLBNPSR1
SCHEMBL20172916 0.89 ACP1 (0.33) ACP1HSD11B1KIF11NR1H2NR1H3
SCHEMBL20172912 0.86 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20172880 0.86 ACP1 (0.33) ACP1HSD11B1KIF11CYP1A2CYP2D6
SCHEMBL20172889 0.85 ALDH1A1 (0.34) CLK4ALDH1A1POLBNPSR1
SCHEMBL20172874 0.84 GPR3 (0.36) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL20650748 0.83 KIF11 (0.32) KIF11
SCHEMBL20172918 0.83 HDAC3 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9
SCHEMBL21021048 0.83 P2RX7 (0.35) ACP1KIF11NR1H2NR1H3CYP2C9

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 4508/4885HSD11B1 1717/4885KIF11 3028/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ACP1 4663/4885HSD11B1 2432/4885KIF11 1480/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ACP1 4508/4885HSD11B1 1717/4885KIF11 3028/4885

“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.