SCHEMBL20172910

SCHEMBL20172910

CN(c1ccccc1OC(F)(F)F)c1cccc2c1sc1c(C(C)(C)C)cccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RY1 P47900 2/20 0.31
HSD11B1 P28845 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
SCHEMBL20172919 0.91 HSD11B1 (0.36) HTR6KDM4EHSD11B1
SCHEMBL20649764 0.87 P2RY1 (0.32) KDM4EP2RY1HSD11B1
SCHEMBL20172867 0.86 GPR3 (0.33) HTR6KDM4E
SCHEMBL20172891 0.85 TRPA1 (0.31) HTR6KDM4E
SCHEMBL20172882 0.85 SCN9A (0.32) HTR6KDM4E
SCHEMBL20172912 0.83 ACP1 (0.33)
SCHEMBL20172907 0.83 KIF11 (0.35)
SCHEMBL21021505 0.82 ACP1 (0.35) P2RY1
SCHEMBL21021482 0.82 SLC6A3 (0.36) HTR6KDM4E
SCHEMBL21021053 0.82 KCNK3 (0.39)

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 HTR6 2028/4885KDM4E 1258/4885P2RY1 1338/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR6 3001/4885KDM4E 517/4885P2RY1 4176/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR6 2028/4885KDM4E 1258/4885P2RY1 1338/4885

“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.