SCHEMBL6842489

SCHEMBL6842489

COCCCN(CCO)CCO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9467 1.00 ALDH1A1 (0.33) ALDH1A1MAPTMAPK1GAATSHR
SCHEMBL16412265 0.95 PIK3CD (0.31) ALDH1A1MAPTMAPK1
SCHEMBL6842512 0.93 ALDH1A1 (0.37) ALDH1A1MAPTGAA
SCHEMBL17777960 0.91 FDPS (0.36) GAATSHRCYP1A2CYP2C9HSD17B10
SCHEMBL9554 0.90 ALDH1A1 (0.33) ALDH1A1MAPK1GAATSHR
SCHEMBL13291449 0.89 CYP1A2 (0.44) ALDH1A1MAPK1CYP1A2CYP2C9HPGD
SCHEMBL1024925 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1GAATSHR
SCHEMBL3429386 0.86 PIK3CD (0.31) MAPT
SCHEMBL24641232 0.84
SCHEMBL8571 0.84 MAPT (0.36) MAPTMAPK1CYP1A2CYP2C9HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787592-B1 OLEOPHILIC NANOCOMPOSITES SOUTHERN CLAY PRODUCTS, INC. 2004-09-07 US claimed
US-6037315-A QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER AKZO NOBEL NV (NL) 2000-03-14 US claimed
CN-118638523-A Cold plate type cooling liquid composition applied to liquid cooling battery energy storage system 统一石油化工有限公司 2024-09-13 CN disclosed
EP-3546549-B1 LUBRICATING OIL COMPOSITION INFINEUM INT LTD (GB) 2022-11-09 EP disclosed
WO-2021132252-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIA, AND MAGNETIC RECORDING MEDIUM 昭和電工株式会社 2021-07-01 WO disclosed
US-20190300810-A1 Lubricating Oil Composition INFINEUM INTERNATIONAL LIMITED (GB) 2019-10-03 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
US-6787592-B1 OLEOPHILIC NANOCOMPOSITES SOUTHERN CLAY PRODUCTS, INC. 2004-09-07 US disclosed
US-6770608-B2 TEXTILE SOFTENING; HAIR AND SKIN CONDITIONER AKZO NOBEL N.V. (NL) 2004-08-03 US disclosed
US-20020025915-A1 High Di(alkyl fatty ester) amines and quaternary ammonium compounds derived therefrom AKZO NOBEL N.V. (NL) 2002-02-28 US disclosed
US-6323167-B1 COMPOSITIONS WHICH COMPRISE QUATERNARY AMMONIUM BASED SOFTENING AGENTS WHICH ARE HIGH IN DIESTER AND LOW IN TRIESTER CONTENT AKZO NOBEL N.V. (NL) 2001-11-27 US disclosed
WO-2001028924-A1 ORGANOCLAY COMPOSITIONS PREPARED FROM ESTER QUATS AND COMPOSITES BASED ON THE COMPOSITIONS SOUTHERN CLAY PRODUCTS, INC. (US) 2001-04-26 WO disclosed
US-6037315-A QUATERNARY AMMONIUM SALT COMPRISING MIXTURE OF MONO-, DI- AND TRI-ESTER COMPONENTS; USED AS A FABRIC SOFTENER AND AS A HAIR AND SKIN CONDITIONER AKZO NOBEL NV (NL) 2000-03-14 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-20070021407-A1 Substituted quinolines as antitumor agents NR1H3, NR1H2, NR0B1 ALDH1A1 3767/4885MAPT 4728/4885MAPK1 3086/4885
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS ALDH1A1 3029/4885MAPT 4850/4885MAPK1 3633/4885
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 ALDH1A1 100/4885MAPT 1573/4885MAPK1 3728/4885

“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.