Cyclohexane

Cyclohexane

SCHEMBL1010969

C1CCCCC1.CC[N+](=O)[O-].C[N+](=O)[O-]

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 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
Nitroethane SCHEMBL1011599 0.90
Nitroethane SCHEMBL1332217 0.83
Nitroethane SCHEMBL35035 0.83
Cyclopentane SCHEMBL9751884 0.83
Nitroethane SCHEMBL7774447 0.79
Nitroethane SCHEMBL27781345 0.79
Nitroethane SCHEMBL29866506 0.79
Nitroethane SCHEMBL27939198 0.79
Piperidine SCHEMBL8670405 0.78 TSHR (0.55) TSHRALDH1A1
Nitroethane SCHEMBL27837876 0.77 TSHR (0.61) TSHRALDH1A1TDP1

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
US-8344103-B2 Compatible-multiphase organic solvent system JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-01-01 US disclosed
EP-1426101-B1 COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM JAPAN SCIENCE & TECH AGENCY (JP) 2011-01-05 EP disclosed
US-20070066799-A1 COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM CHIBA KAZUHIRO 2007-03-22 US disclosed
US-20040214989-A1 Compatible-multiphase organic solvent system JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-10-28 US disclosed
EP-1426101-A1 COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM Japan Science and Technology Agency (JP) 2004-06-09 EP 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-20040214989-A1 Compatible-multiphase organic solvent system FAU, OSTC, OTC TSHR 4789/4885ALDH1A1 2485/4885TDP1 2448/4885
US-20070066799-A1 COMPATIBLE-MULTIPHASE ORGANIC SOLVENT SYSTEM FAU, OSTC, OTC TSHR 4789/4885ALDH1A1 2485/4885TDP1 2448/4885

“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.