Hexadecane

Hexadecane

SCHEMBL3392442

C1CCNCC1.CCCCCCCCCCCCCCCC.CCN(CC)CC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ GNAO1 P09471 12/20 0.37
▸ GNAI3 P08754 11/20 0.37
▸ GNAI1 P63096 11/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35

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 SCHEMBL27730245 0.88 ALDH1A1 (0.53) ALDH1A1GNAO1GNAI3GNAI1TSHR
Octane SCHEMBL27534687 0.88 ALDH1A1 (0.53) ALDH1A1GNAO1GNAI3GNAI1TSHR
Piperidine SCHEMBL3261905 0.88 ALDH1A1 (0.53) ALDH1A1
Azepane SCHEMBL28558375 0.88 ALDH1A1 (0.53) ALDH1A1
Heptane SCHEMBL27858869 0.85 ALDH1A1 (0.50) ALDH1A1GNAO1GNAI3GNAI1TSHR
Heptane SCHEMBL29012288 0.85 TSHR (0.50) ALDH1A1GNAO1GNAI3GNAI1TSHR
Piperidine SCHEMBL11122954 0.85 ALDH1A1 (0.56) ALDH1A1GNAO1GNAI3GNAI1TSHR
Piperidine SCHEMBL27826772 0.85 ALDH1A1 (0.56) ALDH1A1GNAO1GNAI3GNAI1TSHR
Pyrrolidine SCHEMBL28552039 0.85 ALDH1A1 (0.47) ALDH1A1
Piperidine SCHEMBL22363260 0.84 ALDH1A1 (0.39) ALDH1A1PLA2G1BPLA2G2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753710-B1 PROCESS FOR FORMING BRANCHED COMPOSITION CATALYTICALLY BY CARBON-HYDROGEN BOND ACTIVATION IN A SATURATED MOIETY AKZO NOBEL NV (NL) 2010-12-22 — — EP disclosed
US-7227040-B2 Process for forming branched composition catalytically by carbon-hydrogen bond activation in a saturated moiety AKZO NOBEL N.V. (NL) 2007-06-05 — — US disclosed
EP-1753710-A1 PROCESS FOR FORMING BRANCHED COMPOSITION CATALYTICALLY BY CARBON-HYDROGEN BOND ACTIVATION IN A SATURATED MOIETY Akzo Nobel N.V. (NL) 2007-02-21 — — EP disclosed
WO-2005121063-A1 PROCESS FOR FORMING BRANCHED COMPOSITION CATALYTICALLY BY CARBON-HYDROGEN BOND ACTIVATION IN A SATURATED MOIETY AKZO NOBEL N.V. (NL) 2005-12-22 — — WO disclosed
US-20050272941-A1 Process for forming branched composition catalytically by carbon-hydrogen bond activation in a saturated moiety AKZO NOBEL N.V. (NL) 2005-12-08 — — 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 (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-20050272941-A1 Process for forming branched composition catalytically by carbon-hydrogen bond activation in a saturated moiety SCO2, HAO2, SOD1 ALDH1A1 2459/4885GNAO1 2246/4885GNAI3 3006/4885

“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.

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