SCHEMBL1490578

SCHEMBL1490578

C(=CCOCC1CO1)COCC1CO1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.67
TSHR P16473 5/20 0.54
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 4/20 0.34
CYP3A4 P08684 2/20 0.34
HIF1A Q16665 2/20 0.34
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL19886228 1.00 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL5655527 1.00 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16520347 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL18241838 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL18241837 0.89 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL13220703 0.87 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL159509 0.86
SCHEMBL2919638 0.86
SCHEMBL19882494 0.84 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL27816090 0.83 ALDH1A1 (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480591-B1 ALKOXYLATED CYCLIC DIAMINES AND USE THEREOF AS EMULSION BREAKERS CLARIANT FINANCE BV LTD (VG) 2013-11-06 EP claimed
US-20120232171-A1 Alkoxylated Cyclic Diamines And Use Thereof As Emulsion Breakers CLARIANT FINANCE (BVI) LIMITED (VG) 2012-09-13 US claimed
EP-2480591-A1 ALKOXYLATED CYCLIC DIAMINES AND USE THEREOF AS EMULSION BREAKERS Clariant Finance (BV) Limited (VG) 2012-08-01 EP claimed
WO-2011035854-A1 ALKOXYLATED CYCLIC DIAMINES AND USE THEREOF AS EMULSION BREAKERS CLARIANT INTERNATIONAL LTD (CH) 2011-03-31 WO claimed
US-10118987-B2 Hydrocarbon-based polymers bearing dithiocyclocarbonate end groups BOSTIK SA (FR) 2018-11-06 US disclosed
US-20180051130-A1 Novel hydrocarbon-based polymers bearing dithiocyclocarbonate end groups BOSTIK SA (FR) 2018-02-22 US disclosed
US-9403719-B2 Curable polymer mixtures BYK-CHEMIE GMBH (DE) 2016-08-02 US disclosed
EP-2480591-B1 ALKOXYLATED CYCLIC DIAMINES AND USE THEREOF AS EMULSION BREAKERS CLARIANT FINANCE BV LTD (VG) 2013-11-06 EP disclosed
US-20120232171-A1 Alkoxylated Cyclic Diamines And Use Thereof As Emulsion Breakers CLARIANT FINANCE (BVI) LIMITED (VG) 2012-09-13 US disclosed
EP-2480591-A1 ALKOXYLATED CYCLIC DIAMINES AND USE THEREOF AS EMULSION BREAKERS Clariant Finance (BV) Limited (VG) 2012-08-01 EP disclosed
US-20110190420-A1 CURABLE POLYMER MIXTURES BYK-CHEMIE GMBH (DE) 2011-08-04 US disclosed
WO-2011035854-A1 ALKOXYLATED CYCLIC DIAMINES AND USE THEREOF AS EMULSION BREAKERS CLARIANT INTERNATIONAL LTD (CH) 2011-03-31 WO disclosed
US-7235593-B2 Mixing in the absence of actinic radiation a triarylsulfonium, diaryliodonium, dialkylphenacylsulfonium or hydroxyphenyldialkylsulfonium photoinitiator with an oxetane or oxirane monomer/oligomer component and pre-irradiating to activate while controlling temperature to prevent spontaneous polymerization RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-06-26 US disclosed
US-7235593-B2 Mixing in the absence of actinic radiation a triarylsulfonium, diaryliodonium, dialkylphenacylsulfonium or hydroxyphenyldialkylsulfonium photoinitiator with an oxetane or oxirane monomer/oligomer component and pre-irradiating to activate while controlling temperature to prevent spontaneous polymerization RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-06-26 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-20120232171-A1 Alkoxylated Cyclic Diamines And Use Thereof As Emulsion Breakers AOC1, AOC2, C9 ALDH1A1 904/4885TSHR 4584/4885MAPK1 3525/4885

“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.