SCHEMBL20172831

SCHEMBL20172831

CN(c1ccccc1C(C)(C)C)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKDC P78527 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL20172842 0.91 ACP1 (0.33) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172828 0.91 ACP1 (0.33) KIF11MEN1CYP2C19KMT2A
SCHEMBL20172830 0.90 GABRA1 (0.37) KIF11MEN1CYP2C19KMT2ACA2
SCHEMBL20172798 0.90 GABRA1 (0.37) KIF11CA2ALDH1A1
SCHEMBL20172807 0.88 KIF11 (0.32) KIF11
SCHEMBL20172826 0.88 KIF11 (0.32) KIF11MEN1CYP2C19KMT2A
SCHEMBL20800842 0.88 KIF11 (0.33) KIF11MEN1CYP2C19KMT2ACA2
SCHEMBL20172783 0.88 KMT2A (0.43) KIF11MEN1CYP2C19KMT2ACA2
SCHEMBL23967795 0.87 KIF11 (0.31) KIF11CYP2C19CA2TDP1
SCHEMBL20172857 0.87 KIF11 (0.31) KIF11PRKDC

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.