SCHEMBL22269652

SCHEMBL22269652

C=Cc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
LSS P48449 3/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NOS1 P29475 2/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 3/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
APP P05067 3/20 0.40

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
SCHEMBL1140632 0.90 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8754087 0.90 CHRNB2 (0.59) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23610337 0.89 CHRNA7 (0.45) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1260922 0.88 CHRNA7 (0.61) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21771011 0.88 LSS (0.43) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21183209 0.85 CHRNB2 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18598400 0.85 CHRNB2 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9772848 0.85 CHRNB2 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9943360 0.84 CHRNA7 (0.61) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17465617 0.84 ATM (0.58) LSSATML3MBTL1NOS1DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210151685-A1 Compound, Coating Composition Comprising Same, and Organic Light Emitting Diode LG CHEM, LTD. (KR) 2021-05-20 US disclosed
EP-3686186-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2020-07-29 EP 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 (1 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-20210151685-A1 Compound, Coating Composition Comprising Same, and Organic Light Emitting Diode OR10J3, CRY1, FTO CHRNA7 1354/4885CHRNB2 1605/4885CHRNB4 1880/4885

“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.