SCHEMBL20172888

SCHEMBL20172888

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
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
SCHEMBL20172911 0.89 ALDH1A1 (0.33) KIF11ALDH1A1POLBNPSR1
SCHEMBL20172890 0.89 ACP1 (0.33) KIF11ALDH1A1POLBNPSR1
SCHEMBL20172907 0.88 KIF11 (0.35) KIF11ALDH1A1
SCHEMBL20172918 0.86 HDAC3 (0.33) KIF11
SCHEMBL20172889 0.85 ALDH1A1 (0.34) ALDH1A1POLBNPSR1
SCHEMBL20172878 0.84 GABRA1 (0.37) KIF11ALDH1A1
SCHEMBL20172868 0.84 GPR3 (0.38) KIF11ALDH1A1
SCHEMBL20172912 0.83 ACP1 (0.33) KIF11
SCHEMBL20172885 0.81 ACHE (0.37) ALDH1A1POLBNPSR1
SCHEMBL20172935 0.81 KIF11 (0.31) 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 KIF11 3028/4885ALDH1A1 87/4885POLB 3877/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 KIF11 1480/4885ALDH1A1 1103/4885POLB 2893/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 KIF11 3028/4885ALDH1A1 87/4885POLB 3877/4885

“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.