SCHEMBL9908308

SCHEMBL9908308

CC(C)c1ccc2c(c1)OCCOCCOCCOCCOCCO2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
MAPT P10636 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 4/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 4/20 0.52
GAA P10253 1/20 0.52
AOC3 Q16853 1/20 0.49
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
MEN1 O00255 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL15982277 1.00 PTGS1 (0.57) PTGS1PTGS2MAPTLMNAHTT
SCHEMBL11928867 1.00 PTGS1 (0.57) PTGS1PTGS2MAPTLMNAHTT
SCHEMBL15982273 1.00 PTGS1 (0.57) PTGS1PTGS2MAPTLMNAHTT
SCHEMBL15982321 1.00 PTGS1 (0.57) PTGS1PTGS2MAPTLMNAHTT
SCHEMBL71414 0.94 PTGS1 (0.62) PTGS1PTGS2MAPTLMNAHTT
SCHEMBL20091607 0.89 PTGS1 (0.57) PTGS1PTGS2LMNAHTTKDM4E
SCHEMBL2607487 0.86 PTGS1 (0.54) PTGS1PTGS2HTTAOC3KMT2A
SCHEMBL16541175 0.86 PTGS1 (0.54) PTGS1PTGS2HTTGAAAOC3
SCHEMBL22077025 0.85 PTGS1 (0.54) PTGS1PTGS2MAPTLMNAHTT
SCHEMBL14777215 0.85 PTGS1 (0.58) PTGS1PTGS2MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 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 (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-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS TYR, ALK, TTL PTGS1 4813/4885PTGS2 4698/4885MAPT 1726/4885

“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.