SCHEMBL1018865

SCHEMBL1018865

O=C(O)N(CC#CI)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GLA P06280 2/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
POLQ O75417 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15310651 0.82 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL28476393 0.80 L3MBTL1 (0.51) ALDH1A1GLATSHRSMN1; SMN2NPC1
SCHEMBL28595329 0.78 CHRNB2 (0.36) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL8681132 0.77 ALDH1A1 (0.35) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL7156248 0.76 SMN1; SMN2 (0.37) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL9160381 0.73 ALDH1A1 (0.56) ALDH1A1GLATSHRHTTSMN1; SMN2
Fluoride SCHEMBL10887965 0.72 ALDH1A1 (0.50) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL4732176 0.71 ALDH1A1 (0.54) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL10782822 0.70 ALDH1A1 (0.32) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL1927016 0.70 ALDH1A1 (0.69) ALDH1A1GLATSHRHTTSMN1; SMN2

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 65 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-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-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
JP-63054304-A None JP disclosed
EP-4692252-A1 FUNCTIONAL PARTICLE DISPERSION MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2026-02-11 EP 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
JP-S6354304-A INDUSTRIAL GERMICIDE SUMITOMO CHEM CO LTD 1988-03-08 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 (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 ALDH1A1 826/4885GLA 4119/4885TSHR 1718/4885
US-20040014736-A1 Stabililzed haloalkynyl microbicide compositions MGLL, HDHD5, SLC39A14 ALDH1A1 1807/4885GLA 911/4885TSHR 4499/4885

“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.