SCHEMBL4611964

SCHEMBL4611964

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
CA1 P00915 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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 0.89 CA12 (0.42) CA12CA2CA9ALDH1A1HPGD
SCHEMBL1022096 0.85 ZDHHC20 (0.44) TSHRCA12CA2CA9ALDH1A1
SCHEMBL9390536 0.82 TSHR (0.39) TSHRMAPK1CA12CA2CA9
SCHEMBL5968730 0.77 CA12 (0.33) CA12CA9CA1
SCHEMBL7629481 0.77 CA12 (0.33) CA12CA9CA1
SCHEMBL25415491 0.76
SCHEMBL41505 0.75 CA12 (0.55) TSHRMAPK1CA12CA2CA9
SCHEMBL5968728 0.75 CA12 (0.32) CA12CA9CA1
Bromide SCHEMBL11753648 0.73 CA12 (0.52) TSHRMAPK1CA12CA2CA9
Hydrochloric Acid SCHEMBL10822973 0.73 CA12 (0.52) TSHRMAPK1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US claimed
EP-2926659-A1 Biocidal agent LANXESS Deutschland GmbH (DE) 2015-10-07 EP claimed
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-1981629-B1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2013-10-16 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-1981629-A1 IPBC-CONTAINING COACERVATES Lanxess Deutschland GmbH (DE) 2008-10-22 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
WO-2007087994-A1 IPBC-CONTAINING COACERVATES LANXESS DEUTSCHLAND GMBH (DE) 2007-08-09 WO 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-4692252-A1 FUNCTIONAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2026-02-11 EP disclosed
US-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2024-07-04 US disclosed
US-20040014736-A1 Stabililzed haloalkynyl microbicide compositions ROHM AND HAAS COMPANY 2004-01-22 US disclosed
EP-1382248-A1 Stabilized haloalkynyl microbicide compositions ROHM AND HAAS COMPANY (US) 2004-01-21 EP 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-20240215572-A1 ANTIMICROBIAL PARTICLE DISPERSION Q6ZSR9, PAM, ACMSD TSHR 1718/4885MAPK1 2082/4885CA12 4727/4885
US-20040014736-A1 Stabililzed haloalkynyl microbicide compositions MGLL, HDHD5, SLC39A14 TSHR 4499/4885MAPK1 4622/4885CA12 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.