SCHEMBL768588

SCHEMBL768588

O=C(O)N(C#CCI)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 3/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PAX8 Q06710 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11376555 0.75 NPSR1 (0.41) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL3664780 0.71 NPSR1 (0.46) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL4732140 0.70 NPSR1 (0.44) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL483415 0.70 NPSR1 (0.44) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL8754925 0.66 ALDH1A1 (0.51) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL15611386 0.65 NPSR1 (0.40) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL25376834 0.65 ALOX5 (0.39) NPSR1ALDH1A1KMT2AGLATSHR
SCHEMBL22170060 0.63 ALDH1A1 (0.65) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL1018865 0.63 ALDH1A1 (0.44) NPSR1ALDH1A1NPC1KMT2AHTT
SCHEMBL6375630 0.63 NPSR1 (0.46) NPSR1ALDH1A1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113301802-B Synergistic preservative compositions, methods of making and methods of use thereof ISP投资有限公司 2023-08-25 CN claimed
CN-107613767-B Synergistic preservative composition ISP投资有限公司 2022-06-21 CN claimed
CN-107613954-B Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2021-10-19 CN claimed
CN-113301802-A Synergistic preservative compositions, methods of making and methods of using the same ISP投资有限公司 2021-08-24 CN claimed
EP-2538781-B1 PROCESS FOR THE CO-ENCAPSULATION OF BIOCIDALLY ACTIVE COMPOUNDS IN CLAY MINERALS FUNCTIONALIZED BY NITROGEN COMPOUNDS CLARIANT SA (BR) 2016-08-03 EP claimed
US-20160183520-A1 Process For The Co-Encapsulation Of Biocidally Active Compounds In Clay Minerals Functionalized By Nitrogen Compounds CLARIANT S.A. (BR) 2016-06-30 US claimed
US-9228121-B2 Process for the co-encapsulation of biocidally active compounds in clay minerals functionalized by nitrogen compounds CLARIANT S.A. (BR) 2016-01-05 US claimed
EP-2538781-A2 PROCESS FOR THE CO-ENCAPSULATION OF BIOCIDALLY ACTIVE COMPOUNDS IN CLAY MINERALS FUNCTIONALIZED BY NITROGEN COMPOUNDS Clariant S.A., Brazil (BR) 2013-01-02 EP claimed
US-20120316259-A1 Process For The Co-Encapsulation Of Biocidally Active Compounds In Clay Minerals Functionalized By Nitrogen Compounds CLARIANT S.A. BRAZIL (BR) 2012-12-13 US claimed
US-20120071522-A1 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2012-03-22 US claimed
WO-2011103969-A2 PROCESS FOR THE CO-ENCAPSULATION OF BIOCIDALLY ACTIVE COMPOUNDS IN CLAY MINERALS FUNCTIONALIZED BY NITROGEN COMPOUNDS CLARIANT S. A. BRAZIL (BR) 2011-09-01 WO claimed
WO-2006019517-A2 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2006-02-23 WO claimed
US-20060013833-A1 Thermal stabilization of biocides in matrix compositions processed at elevated temperatures ISP INVESTMENTS INC. 2006-01-19 US claimed
CN-113301802-B Synergistic preservative compositions, methods of making and methods of use thereof ISP投资有限公司 2023-08-25 CN disclosed
EP-3528626-B1 USE OF SURFACE-REACTED CALCIUM CARBONATE FOR PREPARING SUPERSATURATED AQUEOUS SYSTEMS OMYA INT AG (CH) 2022-08-31 EP disclosed
CN-107613767-B Synergistic preservative composition ISP投资有限公司 2022-06-21 CN disclosed
US-20120071522-A1 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2012-03-22 US disclosed
WO-2011103969-A2 PROCESS FOR THE CO-ENCAPSULATION OF BIOCIDALLY ACTIVE COMPOUNDS IN CLAY MINERALS FUNCTIONALIZED BY NITROGEN COMPOUNDS CLARIANT S. A. BRAZIL (BR) 2011-09-01 WO disclosed
WO-2006019517-A2 THERMAL STABILIZATION OF BIOCIDES IN MATRIX COMPOSITIONS PROCESSED AT ELEVATED TEMPERATURES ISP INVESTMENTS INC. (US) 2006-02-23 WO disclosed
US-20060013833-A1 Thermal stabilization of biocides in matrix compositions processed at elevated temperatures ISP INVESTMENTS INC. 2006-01-19 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 (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-20160183520-A1 Process For The Co-Encapsulation Of Biocidally Active Compounds In Clay Minerals Functionalized By Nitrogen Compounds SUV39H1, SUV39H2, TST NPSR1 2449/4885ALDH1A1 4167/4885NPC1 1944/4885
US-20120316259-A1 Process For The Co-Encapsulation Of Biocidally Active Compounds In Clay Minerals Functionalized By Nitrogen Compounds SUV39H1, SUV39H2, TST NPSR1 2449/4885ALDH1A1 4167/4885NPC1 1944/4885

“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.