SCHEMBL672474

SCHEMBL672474

O=C(O)Nc1ccccc1C#CCI

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
MAPT P10636 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.37
SLC16A3 O15427 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
SCHEMBL18983569 0.81 KDM4E (0.67) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL11117971 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4766358 0.73 GAA (0.69) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL483417 0.73 GAA (0.46) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL28559053 0.71 HPGD (0.50) LMNAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL29519193 0.71 SMN1; SMN2 (0.54) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL1226530 0.71 SMN1; SMN2 (0.54) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL672473 0.70 RAB9A (0.48) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL4691712 0.69 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1CYP1A2
SCHEMBL16213446 0.69 KDM4E (0.65) ALDH1A1KDM4ELMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240953-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2023-08-03 US claimed
EP-4171531-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2023-05-03 EP claimed
CN-107613767-B Synergistic preservative composition ISP投资有限公司 2022-06-21 CN claimed
US-20220030862-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-02-03 US claimed
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US claimed
WO-2022005930-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-01-06 WO claimed
EP-3886582-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2021-10-06 EP claimed
WO-2020113211-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2020-06-04 WO claimed
EP-3280449-B1 AN AQUEOUS MULTILAMELLAR COMPOSITION FOR DELIVERING HYDROPHOBIC SUBSTANCES ISP INVESTMENTS LLC (US) 2019-11-20 EP claimed
US-20180092843-A1 AN AQUEOUS MULTILAMELLAR COMPOSITION FOR DELIVERING HYDROPHOBIC SUBSTANCES ISP INVESTMENTS LLC (US) 2018-04-05 US claimed
US-20130195947-A1 BIOCIDE POWDER FORMULATION TROY TECHNOLOGY II, INC. 2013-08-01 US claimed
EP-2547208-A1 BIOCIDE POWDER FORMULATION Isp Investments Inc. (US) 2013-01-23 EP 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
WO-2012024097-A1 THERMO-STABLE, ARSENIC-FREE SYNERGISTIC BIOCIDE CONCENTRATE COMPOSITION FOR POLYMER MATRICES AND PROCESS FOR PREPARING SAME ISP INVESTMENTS INC. (US) 2012-02-23 WO claimed
WO-2011116168-A1 BIOCIDE POWER FORMULATION ISP INVESTMENTS INC. (US) 2011-09-22 WO 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
US-7951852-B2 Mixing a microbiocide such as iodopropynyl butyl carbamate with a dry lubricant such as calcium stearate or zinc stearate to form a free-flowing powder additive for polymer, plastic, or polymer-wood composites ISP INVESTMENTS INC. (US) 2011-05-31 US claimed
US-20060229381-A1 Free-flowing composition of a biocide and a processing additive therewith for incorporation into a polymer or plastic matrix product ISP INVESTMENTS INC. 2006-10-12 US claimed
US-20060013847-A1 Thermal stabilization of IPBC biocide ISP INVESTMENTS INC. 2006-01-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20180092843-A1 AN AQUEOUS MULTILAMELLAR COMPOSITION FOR DELIVERING HYDROPHOBIC SUBSTANCES LIPA, PHOSPHO1, DAGLA ALDH1A1 1611/4885KDM4E 2953/4885LMNA 1395/4885
US-20230240953-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF MPO, SPOUT1, ARG1 ALDH1A1 1137/4885KDM4E 3897/4885LMNA 2799/4885
US-20220030862-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF HPD, EBP, TET1 ALDH1A1 1373/4885KDM4E 567/4885LMNA 384/4885
US-20120316259-A1 Process For The Co-Encapsulation Of Biocidally Active Compounds In Clay Minerals Functionalized By Nitrogen Compounds SUV39H1, SUV39H2, TST ALDH1A1 4167/4885KDM4E 137/4885LMNA 4620/4885
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ALAD, SCD, DHCR7 ALDH1A1 92/4885KDM4E 3071/4885LMNA 825/4885

“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.