Hexane

Hexane

SCHEMBL5790855

CC(Cl)Cl.CCCCCC.CCOC(C)=O

nearest known ligand 0.61

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 3/20 0.61
HSD17B10 Q99714 1/20 0.61
FAAH O00519 3/20 0.43
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRKCA P17252 2/20 0.38
NAAA Q02083 1/20 0.38

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
Hexane SCHEMBL27474015 0.93 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL133237 0.93 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL8542408 0.93 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL27838107 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL2545621 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Heptane SCHEMBL4621147 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10FAAHTSHR
Ethyl Acetate SCHEMBL9486136 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL6713360 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL7266603 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHR
Ethyl Acetate SCHEMBL6717750 0.91 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10TSHR

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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-1567520-A4 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-08-02 EP disclosed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES PPOX, TYR, NQO1 ALDH1A1 1152/4885LMNA 1853/4885HSD17B10 3079/4885

“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.