Hexane

Hexane

SCHEMBL4850273

CC(=O)OC(C)=O.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TSHR P16473 5/20 0.62
NAAA Q02083 1/20 0.48
CES2 O00748 5/20 0.48
CES1 P23141 4/20 0.48
AKR1B1 P15121 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
GPR84 Q9NQS5 4/20 0.43
TLR2 O60603 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43

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 SCHEMBL2205860 1.00 ALDH1A1 (0.62) ALDH1A1TSHRNAAACES2CES1
Nonane SCHEMBL10761220 0.97 TSHR (0.59) ALDH1A1TSHRNAAACES2CES1
Heptane SCHEMBL27391924 0.97 TSHR (0.59) ALDH1A1TSHRNAAACES2CES1
Pentane SCHEMBL27453772 0.94 ALDH1A1 (0.62) ALDH1A1TSHRNAAACES2CES1
Tetrabuthylammonium SCHEMBL28621169 0.87 SLC22A1 (0.57) ALDH1A1TSHRNAAACES2ALOX15
SCHEMBL27461565 0.87 ALDH1A1 (0.55) ALDH1A1TSHRNAAACES2CES1
Butane SCHEMBL28203399 0.87 ALDH1A1 (0.71) ALDH1A1TSHRNAAACES2CES1
Butyl Alcohol SCHEMBL10429299 0.86 ALDH1A1 (0.58) ALDH1A1TSHRNAAACES1TDP1
Tetrabuthylammonium SCHEMBL28258724 0.85 SLC22A1 (0.55) ALDH1A1TSHRNAAACES2ALOX15
Hydrochloric Acid SCHEMBL28242455 0.85 ALDH1A1 (0.52) ALDH1A1TSHRNAAACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449593-B2 having silyl substituted group on ring 9 and 10; such as 9-(2-naphthyl)-10-triphenysilyl anthracene AU OPTRONICS CORPORATION (TW) 2008-11-11 US disclosed
US-20070173658-A1 SILICON-CONTAINED ANTHRACENE COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AU OPTRONICS CORPORATION (TW) 2007-07-26 US disclosed
US-20070164669-A1 SILICON-CONTAINED ANTHRACENE COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AU OPTRONICS CORPORATION (TW) 2007-07-19 US disclosed
US-20060226768-A1 Silicon-contained anthracene compound for organic electroluminescent device AU OPTRONICS CORPORATION (TW) 2006-10-12 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 (3 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-20070173658-A1 SILICON-CONTAINED ANTHRACENE COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, ACSL3, APOL1 ALDH1A1 2110/4885TSHR 1793/4885NAAA 3169/4885
US-20060226768-A1 Silicon-contained anthracene compound for organic electroluminescent device OR10J3, ACSL3, APOL1 ALDH1A1 1609/4885TSHR 2490/4885NAAA 3107/4885
US-20070164669-A1 SILICON-CONTAINED ANTHRACENE COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, ACSL3, APOL1 ALDH1A1 2110/4885TSHR 1793/4885NAAA 3169/4885

“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.