SCHEMBL23544784

SCHEMBL23544784

C/N=C/CC(C)OCC1CO1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL14427209 0.76 ALDH1A1 (0.35) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28142170 0.76 SMN1; SMN2 (0.36) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL23544790 0.74 SMN1; SMN2 (0.30) TSHRSMN1; SMN2
SCHEMBL6303425 0.74 ALDH1A1 (0.43) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL6310703 0.74 ALDH1A1 (0.43) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL23544779 0.74 ALDH1A1 (0.36) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27920160 0.74 ALDH1A1 (0.35) TSHRSMN1; SMN2ALDH1A1MAPK1
SCHEMBL93383 0.72
SCHEMBL9918912 0.72 ALDH1A1 (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL18095076 0.71 ALDH1A1 (0.40) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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 TSHR 521/4885SMN1; SMN2 696/4885ALDH1A1 3194/4885
US-20210188766-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM AFF1, PHOSPHO1, CHRM1 TSHR 521/4885SMN1; SMN2 696/4885ALDH1A1 3194/4885

“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.