SCHEMBL1022096

SCHEMBL1022096

CCCCCCN(CC#CI)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.43
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
EPHX2 P34913 1/20 0.39
PTPN7 P35236 3/20 0.37
HMGCR P04035 1/20 0.37
MGLL Q99685 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
GPR84 Q9NQS5 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35

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
SCHEMBL309218 0.93 CA12 (0.42) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL4611964 0.85 TSHR (0.41) CA12CA1CA9CA2TSHR
SCHEMBL9387745 0.85 ZDHHC20 (0.42) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL5968730 0.81 CA12 (0.33) ZDHHC20CA12CA1CA9
SCHEMBL7629481 0.81 CA12 (0.33) ZDHHC20CA12CA1CA9
SCHEMBL25272614 0.79 CA12 (0.52) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL4623644 0.79 CA12 (0.52) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL4622713 0.79 CA12 (0.52) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL7652815 0.79 CA12 (0.52) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL14763241 0.79 CA12 (0.52) ZDHHC20ZDHHC2CA12CA1CA9

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
EP-2282637-B1 ANTISAPSTAIN COMPOSITIONS COMPRISING A HALOALKYNYL COMPOUND, AN AZOLE AND AN UNSATURATED ACID ARCH TIMBER PROTECTION LTD (GB) 2015-06-17 EP claimed
EP-1599095-B1 SYNERGISTIC COMBINATION OF FUNGICIDES TO PROTECT WOOD AND WOOD-BASED PRODUCTS AND WOOD TREATED BY SUCH COMBINATION AS WELL AS METHODS OF MAKING THE SAME KOP COAT INC (US) 2012-08-15 EP claimed
EP-1357794-B1 SYNERGISTIC COMBINATION OF FUNGICIDES TO PROTECT WOOD AND WOOD-BASED PRODUCTS FROM FUNGAL DECAY, MOLD AND MILDEW DAMAGE KOP COAT INC (US) 2007-09-12 EP claimed
EP-1312261-B1 Aqueous compositions containing a haloalkynyl compound and a buffer for providing biocidal activity and for stabilising end-use formulations TROY TECHNOLOGY CORP INC (US) 2006-08-30 EP claimed
US-7083801-B2 Stabilized haloalkynyl microbicide compositions ROHM AND HAAS COMPANY 2006-08-01 US claimed
EP-1382248-B1 Stabilized haloalkynyl microbicide compositions ROHM & HAAS (US) 2005-10-05 EP claimed
US-20040014736-A1 Stabililzed haloalkynyl microbicide compositions ROHM AND HAAS COMPANY 2004-01-22 US claimed
EP-1382248-A1 Stabilized haloalkynyl microbicide compositions ROHM AND HAAS COMPANY (US) 2004-01-21 EP claimed
EP-0831706-B1 NON-AQUEOUS COMPOSITIONS CONTAINING A HALOALKYNYL COMPOUND AND A BUFFER FOR PROVIDING BIOCIDAL ACTIVITY AND FOR STABILIZING END-USE FORMULATIONS TROY TECHNOLOGY CORP INC (US) 2003-05-02 EP claimed
EP-0939793-B1 STABILIZATION OF BIOCIDAL ACTIVITY IN AIR DRYING ALKYDS TROY TECHNOLOGY CORP INC (US) 2001-10-10 EP claimed
EP-0938470-B1 AQUEOUS SYNTHESIS OF IODOPROPARGYL CARBAMATE TROY TECHNOLOGY CORP INC (US) 2001-09-26 EP claimed
EP-0370665-B1 Wood preservative and soil treatment composition TROY CHEMICAL CORP (US) 1994-03-30 EP claimed
JP-2231404-A None JP disclosed
CN-114555720-B Antifouling additive 阿萨达股份公司 2024-04-05 CN disclosed
CN-107428722-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2021-04-20 CN disclosed
CN-111892576-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2020-11-06 CN disclosed
EP-0632034-A1 Agents for preserving technical materials against insects NIHON BAYER AGROCHEM K.K. (JP) 1995-01-04 EP disclosed
US-5354777-A Cyanoalkene derivatives, process for their preparation, and their use as microbicide for the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0511541-A1 Agents for preserving wood or composite-wood materials against insects NIHON BAYER AGROCHEM K.K. (JP) 1992-11-04 EP disclosed
JP-H02231404-A WOOD PRESERVATIVE AND SOIL-TREATING AGENT TROY CHEM CORP 1990-09-13 JP 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-20040014736-A1 Stabililzed haloalkynyl microbicide compositions MGLL, HDHD5, SLC39A14 ZDHHC20 1042/4885ZDHHC2 1051/4885CA12 3861/4885

“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.