SCHEMBL3429982

SCHEMBL3429982

CCN(CCO)CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 5/20 0.38
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL465303 0.94 HSD17B10 (0.44) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL5052375 0.92 HSD17B10 (0.50) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL7837862 0.92 CYP1A2 (0.54) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL18158087 0.89 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL3427325 0.89 HSD17B10 (0.41) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL5052250 0.89 SMN1; SMN2 (0.43) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL11713997 0.89 HSD17B10 (0.41) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL3920017 0.89 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL13488737 0.89 CYP1A2 (0.52) CYP1A2HSD17B10CYP2C9HPGDMAPK1
SCHEMBL19206141 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101045759-B Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU 2011-06-01 CN claimed
EP-1463506-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2009-10-21 EP claimed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US claimed
CN-101045759-A Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO (CN) 2007-10-03 CN claimed
EP-2784059-B1 Method for isolating tertiary amino alcohol TOSHIBA KK (JP) 2016-08-24 EP disclosed
US-9181174-B2 Method for isolating tertiary amino alcohol KABUSHIKI KAISHA TOSHIBA (JP) 2015-11-10 US disclosed
US-20140296576-A1 METHOD FOR ISOLATING TERTIARY AMINO ALCOHOL KABUSHIKI KAISHA TOSHIBA (JP) 2014-10-02 US disclosed
EP-2784059-A1 Method for isolating tertiary amino alcohol Kabushiki Kaisha Toshiba (JP) 2014-10-01 EP disclosed
WO-2013143466-A1 SUBSTITUTED PYRIMIDINE DERIVATIVE AS AURORA KINASE INHIBITOR 广东东阳光药业有限公司 (CN) 2013-10-03 WO disclosed
CN-101045759-B Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU 2011-06-01 CN disclosed
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 US disclosed
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1545462-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS The Regents of the University of California (US) 2005-06-29 EP disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 US disclosed
WO-2004113324-A1 CHINAZOLINE DERIVATIVES AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 WO disclosed
EP-1463506-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES Astrazeneca AB (SE) 2004-10-06 EP disclosed
WO-2004009665-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 WO disclosed
WO-2004009666-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-01-29 WO disclosed
WO-2003055491-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF AURORA KINASES ASTRAZENECA AB (SE) 2003-07-10 WO 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-20140296576-A1 METHOD FOR ISOLATING TERTIARY AMINO ALCOHOL ADH1C, AADAT, ADH1A CYP1A2 1631/4885HSD17B10 1563/4885CYP2C9 2513/4885
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB CYP1A2 2009/4885HSD17B10 3215/4885CYP2C9 3423/4885

“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.