Undecane

Undecane

SCHEMBL20944699

CCCCCCCCCCC.S.S

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.89
THRB P10828 1/20 0.89
SLC22A1 O15245 3/20 0.69
ALDH1A1 P00352 3/20 0.64
HSD17B10 Q99714 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
ALOX15 P16050 1/20 0.64
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HIF1A Q16665 1/20 0.64
SLC22A2 O15244 1/20 0.61
DNM1 Q05193 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60

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
Nonane SCHEMBL5676349 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Hexadecane SCHEMBL11732186 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Decane SCHEMBL7147766 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Dodecane SCHEMBL4004868 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Octane SCHEMBL4197161 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Undecane SCHEMBL5678872 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Tetradecane SCHEMBL5676687 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Decane SCHEMBL4005469 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Octane SCHEMBL3882561 1.00 TSHR (0.89) TSHRTHRBSLC22A1ALDH1A1HSD17B10
Heptane SCHEMBL5678844 1.00

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-10877021-B2 Device for biological material detection, detection apparatus for biological material detection, method for measuring ion current, and method for identifying biological material OSAKA UNIVERSITY (JP) 2020-12-29 US disclosed
US-20190128888-A1 DEVICE FOR BIOLOGICAL MATERIAL DETECTION, DETECTION APPARATUS FOR BIOLOGICAL MATERIAL DETECTION, METHOD FOR MEASURING ION CURRENT, AND METHOD FOR IDENTIFYING BIOLOGICAL MATERIAL AIPORE INC. (JP) 2019-05-02 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-10877021-B2 Device for biological material detection, detection apparatus for biological material detection, method for measuring ion current, and method for identifying biological material TMEM63A, BMP2, BMP1 TSHR 3057/4885THRB 3071/4885SLC22A1 464/4885
US-20190128888-A1 DEVICE FOR BIOLOGICAL MATERIAL DETECTION, DETECTION APPARATUS FOR BIOLOGICAL MATERIAL DETECTION, METHOD FOR MEASURING ION CURRENT, AND METHOD FOR IDENTIFYING BIOLOGICAL MATERIAL TMEM63A, BMP2, BMP1 TSHR 3057/4885THRB 3071/4885SLC22A1 464/4885

“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.