SCHEMBL978641

SCHEMBL978641

O=C(C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.75
HSP90AA1 P07900 5/20 0.66
NPSR1 Q6W5P4 4/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.66
OPRK1 P41145 2/20 0.66
KMT2A Q03164 2/20 0.66
HTT P42858 2/20 0.60
S1PR2 O95136 1/20 0.60
MITF O75030 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NTSR1 P30989 1/20 0.58
NPC1 O15118 1/20 0.56
AGTR1 P30556 1/20 0.56
RAB9A P51151 1/20 0.56
PAX8 Q06710 1/20 0.56
TLR9 Q9NR96 1/20 0.56
APP P05067 5/20 0.52
FFAR1 O14842 1/20 0.46

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
SCHEMBL10625119 0.95 VCP (0.81) VCPHSP90AA1NPSR1ALDH1A1MAPT
Iodobenzene SCHEMBL27743145 0.90 VCP (0.64) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL9124703 0.90 HSP90AA1 (0.69) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL13077510 0.88 APP (0.69) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL13077427 0.88 VCP (0.71) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL24808421 0.86 VCP (0.74) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL9069649 0.86 VCP (0.59) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL13284136 0.86 VCP (0.69) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL15827958 0.86 VCP (1.00) VCPHSP90AA1NPSR1ALDH1A1MAPT
SCHEMBL9194059 0.86 VCP (0.69) VCPHSP90AA1NPSR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044232-A1 COMPOSITIONS AND METHODS FOR SELECTIVE LABELING OF N-ALKYLATED IMIDAZOLE CONTAINING COMPOUNDS AND PEPTIDES EMORY UNIVERSITY (US) 2024-02-29 WO claimed
EP-0476658-B1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMA (US) 1995-11-15 EP claimed
EP-0476658-A1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 EP claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
US-20250186408-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-06-12 US disclosed
US-20250059229-A1 Compositions and Methods for Selective Labeling of Secondary Amines UNIV EMORY (US) 2025-02-20 US disclosed
EP-4333819-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY Katholieke Universiteit Leuven (BE) 2024-03-13 EP disclosed
WO-2024044232-A1 COMPOSITIONS AND METHODS FOR SELECTIVE LABELING OF N-ALKYLATED IMIDAZOLE CONTAINING COMPOUNDS AND PEPTIDES EMORY UNIVERSITY (US) 2024-02-29 WO disclosed
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
CN-115197108-B Preparation method of gamma-ketosulfone compound 南华大学 2023-11-28 CN disclosed
CN-113636972-B Polysubstituted benzene compound and synthesis method thereof 华东师范大学 2023-11-10 CN disclosed
CN-115073401-B 2,3 '-bisfuran compound, 2,3' -oligomeric furan compound, and preparation methods and applications thereof 华南理工大学 2023-07-14 CN disclosed
EP-0000385-A1 Thermosetting compositions based on polyarylacetylenes and substituted polyphenylene oxides and resins obtained by curing them HERCULES INCORPORATED (US) 1979-01-24 EP disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 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-20250186408-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY CNR1, CNR2, CYP2J2 VCP 4323/4885HSP90AA1 3775/4885NPSR1 233/4885
US-20250059229-A1 Compositions and Methods for Selective Labeling of Secondary Amines RNMT, DOT1L, ADAR VCP 4807/4885HSP90AA1 3540/4885NPSR1 1766/4885

“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.