Hexane

Hexane

SCHEMBL6861569

CCCCCC.O=C1CCCN1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.68
CRBN Q96SW2 3/20 0.58
FKBP5 Q13451 1/20 0.58
ALOX5 P09917 2/20 0.46
CCR2 P41597 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
FAAH O00519 1/20 0.37
NAAA Q02083 1/20 0.37
CYP19A1 P11511 5/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34
LMNA P02545 1/20 0.33

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
Octane SCHEMBL5605719 0.98 OR51E2 (0.65) OR51E2CRBNFKBP5ALOX5CCR2
Dodecane SCHEMBL28204455 0.91 CRBN (0.67) OR51E2CRBNFKBP5ALOX5CCR2
Caprolactam SCHEMBL6668448 0.91 CRBN (0.67) OR51E2CRBNFKBP5ALOX5CCR2
2-Pyrrolidone SCHEMBL3225022 0.91 OR51E2 (0.75) OR51E2CRBNFKBP5ALOX5KDM4E
2-Pyrrolidone SCHEMBL5832885 0.91 OR51E2 (0.75) OR51E2CRBNFKBP5ALOX5KDM4E
2-Pyrrolidone SCHEMBL28122622 0.90 OR51E2 (0.56) OR51E2CRBNFKBP5ALOX5CCR2
1-Pentanol SCHEMBL28143808 0.90 OR51E2 (0.56) OR51E2CRBNFKBP5ALOX5CCR2
Dodecane SCHEMBL27688625 0.90 CRBN (0.64) OR51E2CRBNFKBP5ALOX5CCR2
Undecane SCHEMBL3414259 0.90 CRBN (0.64) OR51E2CRBNFKBP5ALOX5CCR2
Decanol SCHEMBL4969999 0.89 OR51E2 (0.54) OR51E2CRBNFKBP5ALOX5CCR2

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
US-6673963-B2 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-01-06 US claimed
US-20030060658-A1 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-03-27 US claimed
CN-116040872-A Organic wastewater treatment system and method 中国恩菲工程技术有限公司 2023-05-02 CN disclosed
US-20230118462-A1 Process for Making Sorbic Acid from Renewable Materials NUTRINOVA NETHERLANDS B.V. (NL) 2023-04-20 US disclosed
CN-115974160-A Method for removing organic impurities in manganese sulfate solution 中国恩菲工程技术有限公司 2023-04-18 CN disclosed
US-6794540-B2 Process for the preparation of sorbic acid NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-09-21 US disclosed
US-6673963-B2 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2004-01-06 US disclosed
CN-1429804-A Method for preparing sorbic acid LUTNAUVA NUTRIMENT AND FOOD GM (DE) 2003-07-16 CN disclosed
US-20030130541-A1 Process for the preparation of sorbic acid NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-07-10 US disclosed
US-20030060658-A1 Process for preparing sorbic acid by thermal cleavage NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-03-27 US disclosed
CN-1290249-A Aminoguanidine hydrazone derivatives, process for producing the same and drugs thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-04 CN 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-20230118462-A1 Process for Making Sorbic Acid from Renewable Materials BCKDK, ALKBH3, MCCC2 OR51E2 154/4885CRBN 1170/4885FKBP5 2939/4885

“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.