SCHEMBL20172826

SCHEMBL20172826

CN(c1ccccc1F)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL20172807 0.89 KIF11 (0.32) KIF11
SCHEMBL20172838 0.89 ACP1 (0.33) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172831 0.88 KIF11 (0.35) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172828 0.86 ACP1 (0.33) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172817 0.85 NPC1 (0.34)
SCHEMBL20172830 0.84 GABRA1 (0.37) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172842 0.83 ACP1 (0.33) KIF11MEN1CYP2C19KMT2A
SCHEMBL20800842 0.83 KIF11 (0.33) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172833 0.82 KIF11 (0.31) KIF11MEN1CYP2C19KMT2A
SCHEMBL20800809 0.82 CES1 (0.30)

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 KIF11 3028/4885MEN1 801/4885CYP2C19 609/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 KIF11 1480/4885MEN1 565/4885CYP2C19 663/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 KIF11 3028/4885MEN1 801/4885CYP2C19 609/4885

“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.