SCHEMBL20172889

SCHEMBL20172889

CN(c1ccccc1F)c1cccc2c1sc1c(F)cccc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
CHEK1 O14757 1/20 0.30
NEK2 P51955 1/20 0.30
LIMK1 P53667 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL20172885 0.89 ACHE (0.37) ALDH1A1POLBNPSR1MAPT
SCHEMBL20172877 0.89 ACHE (0.37) ALDH1A1POLBNPSR1MAPT
SCHEMBL21020323 0.87 SIGMAR1 (0.34) ALDH1A1POLBNPSR1SIGMAR1KDM4E
SCHEMBL20172871 0.87 GPR3 (0.39) ALDH1A1POLBNPSR1KDM4ETP53
SCHEMBL20172887 0.86 ALDH1A1 (0.35) ALDH1A1POLBNPSR1KDM4ETP53
SCHEMBL20172893 0.85
SCHEMBL20172886 0.85 SIGMAR1 (0.34) SIGMAR1
SCHEMBL21020013 0.85 ALDH1A1 (0.37) ALDH1A1POLBNPSR1KDM4ETP53
SCHEMBL20172911 0.85 ALDH1A1 (0.33) ALDH1A1POLBNPSR1
SCHEMBL20172916 0.85 ACP1 (0.33) ALDH1A1POLBNPSR1SMN1; SMN2CLK4

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 ALDH1A1 87/4885POLB 3877/4885NPSR1 3878/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 ALDH1A1 1103/4885POLB 2893/4885NPSR1 4244/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ALDH1A1 87/4885POLB 3877/4885NPSR1 3878/4885

“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.