Decane

Decane

SCHEMBL5084996

B.CCCCCCCCCC

nearest known ligand 0.89

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.89
THRB P10828 1/20 0.89
LMNA P02545 3/20 0.60
HTT P42858 1/20 0.60
DNM1 Q05193 6/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
Decane SCHEMBL23174724 1.00 TSHR (0.89) TSHRTHRBLMNAHTTDNM1
Nonane SCHEMBL27486798 1.00 TSHR (0.89) TSHRTHRBLMNAHTTDNM1
Octane SCHEMBL8988185 1.00
SCHEMBL23174725 1.00 TSHR (0.89) TSHRTHRBLMNAHTTDNM1
Heptane SCHEMBL8568059 1.00
Heptane SCHEMBL28095754 0.95
Heptane SCHEMBL23091221 0.95 TSHR (0.80) TSHRTHRBLMNAHTTDNM1
Heptane SCHEMBL17968620 0.95 TSHR (0.80) TSHRTHRBLMNAHTTDNM1
Tetradecane SCHEMBL23924271 0.94 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1
Hexadecane SCHEMBL23499901 0.94 TSHR (1.00) TSHRTHRBLMNADNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220694-B A kind of preparation method of neohesperidin dihydrochalcone 湖南华诚生物资源股份有限公司 2019-03-26 CN claimed
CN-106220694-A A kind of preparation method of NHDC 湖南华诚生物资源股份有限公司 2016-12-14 CN claimed
CN-106220694-B A kind of preparation method of neohesperidin dihydrochalcone 湖南华诚生物资源股份有限公司 2019-03-26 CN disclosed
CN-106220694-A A kind of preparation method of NHDC 湖南华诚生物资源股份有限公司 2016-12-14 CN disclosed
CN-100516017-C Process for the carbonylation of an ethylenically unsaturated compound and catalyst therefore Shell int research co ltd (NL) 2009-07-22 CN disclosed
US-20080086015-A1 Alkoxycarbonylation of Vinyl Esters LUCITE INTERNATIONAL UK LTD. (GB) 2008-04-10 US disclosed
EP-1748976-A1 ALKOXYCARBONYLATION OF VINYL ESTERS Lucite International UK Limited (GB) 2007-02-07 EP disclosed
WO-2005118519-A1 ALKOXYCARBONYLATION OF VYNIL ESTERS LUCITE INTERNATIONAL UK LTD (GB) 2005-12-15 WO disclosed
CN-1642646-A Process for the carbonylation of an ethylenically unsaturated compound and catalyst therefore SHELL INT RESEARCH (NL) 2005-07-20 CN disclosed
EP-1478463-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND CATALYST THEREFORE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-11-24 EP disclosed
WO-2003070370-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND CATALYST THEREFORE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2003-08-28 WO 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-20080086015-A1 Alkoxycarbonylation of Vinyl Esters HAO2, HAO1, LDHA TSHR 3239/4885THRB 892/4885LMNA 1841/4885

“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.