SCHEMBL21156384

SCHEMBL21156384

C=Cc1ccc(COC(C)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RCE1 Q9Y256 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
IDO1 P14902 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.31
TRPA1 O75762 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL6310633 0.87 ALDH1A1 (0.39) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL13113051 0.85 ADRB2 (0.39) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL5199701 0.85 ALDH1A1 (0.44) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL15624242 0.82 ALDH1A1 (0.38) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL9324006 0.80 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL1081809 0.80 ALDH1A1 (0.39) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL3957537 0.80 ALDH1A1 (0.39) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL5069327 0.80 ALDH1A1 (0.39) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL4440288 0.80 ALDH1A1 (0.39) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2
SCHEMBL188152 0.79 ALDH1A1 (0.38) ALDH1A1RCE1TAS1R3TAS1R1CHRNB2

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-11196009-B2 Fluorene derivative, organic light emitting device using same, and manufacturing method therefor LG CHEM, LTD. 2021-12-07 US disclosed
US-20190214568-A1 Fluorene Derivative, Organic Light Emitting Device Using Same, And Manufacturing Method Therefor LG CHEM, LTD. (KR) 2019-07-11 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 (2 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-11196009-B2 Fluorene derivative, organic light emitting device using same, and manufacturing method therefor NOTUM, FTO, FARSB ALDH1A1 219/4885RCE1 2419/4885TAS1R3 1858/4885
US-20190214568-A1 Fluorene Derivative, Organic Light Emitting Device Using Same, And Manufacturing Method Therefor NOTUM, FTO, FARSB ALDH1A1 219/4885RCE1 2419/4885TAS1R3 1858/4885

“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.