SCHEMBL29544982

SCHEMBL29544982

C#CCOc1cc(CO)cc(OCC#C)c1OCC#C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
GSTP1 P09211 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAOB P27338 2/20 0.35
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ALOX15 P16050 1/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL10347556 0.88 HTT (0.47) SMN1; SMN2HPGDTSHRLMNAHTT
SCHEMBL29545113 0.81 SMN1; SMN2 (0.38) SMN1; SMN2HPGDTSHRLMNAHTT
SCHEMBL19640138 0.77 CYP4F2 (0.40) SMN1; SMN2TSHRLMNAHTTGAA
SCHEMBL19420175 0.77 HTT (0.44) SMN1; SMN2TSHRHTTMGAMGAA
SCHEMBL4278916 0.76 GSTP1 (0.46) TSHRGSTP1MGAMGAASI
SCHEMBL105466 0.76 GSTP1 (0.46) TSHRGSTP1MGAMGAASI
SCHEMBL14882611 0.74 POLB (0.49) SMN1; SMN2TSHRHTTMAOBHSD17B10
SCHEMBL19806086 0.74 POLB (0.52) SMN1; SMN2LMNAHTTGAAMAOB
SCHEMBL19806084 0.74 PDE4B (0.47) HTTMAOBPOLBACHE
SCHEMBL29976179 0.74 PDE4B (0.47) HTTMAOBPOLBACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683972-A1 SILICON PHTHALOCYANINE AND TRIBENZOPHTHALOCYANINE DYES AND THEIR USE IN DIAGNOSIS AND THERAPY Albert-Ludwigs-Universität Freiburg (DE) 2026-01-28 EP disclosed
WO-2024194415-A1 SILICON PHTHALOCYANINE AND TRIBENZOPHTHALOCYANINE DYES AND THEIR USE IN DIAGNOSIS AND THERAPY ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2024-09-26 WO disclosed
EP-4435060-A1 SILICON PHTHALOCYANINE AND TRIBENZOPHTHALOCYANINE DYES AND THEIR USE IN DIAGNOSIS AND THERAPY Albert-Ludwigs-Universität Freiburg (DE) 2024-09-25 EP disclosed
CN-111939771-B Polystyrene-metal organic polyhedron with oriented structure and preparation method and application thereof 华南理工大学 2022-03-25 CN disclosed