SCHEMBL23544779

SCHEMBL23544779

C/N=C/C(C)OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GLA P06280 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
SCHEMBL509361 0.76
SCHEMBL27979025 0.74 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL23544784 0.74 TSHR (0.35) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL2556581 0.72
SCHEMBL3975311 0.72
SCHEMBL635723 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL39030 0.72
SCHEMBL3458576 0.72 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
Fluoride SCHEMBL27904157 0.70
SCHEMBL26317505 0.70 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-11639330-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium SHOWA DENKO K.K. (JP) 2023-05-02 US disclosed
US-20210188766-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM SHOWA DENKO K.K. (JP) 2021-06-24 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 (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-11639330-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium AFF1, PHOSPHO1, CHRM1 ALDH1A1 3194/4885TSHR 521/4885MAPK1 12/4885
US-20210188766-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM AFF1, PHOSPHO1, CHRM1 ALDH1A1 3194/4885TSHR 521/4885MAPK1 12/4885

“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.