SCHEMBL4544108

SCHEMBL4544108

COC(O)([PH2]=O)c1cccc(CP(=O)(O)OC)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.40
PGK2 P07205 2/20 0.40
ADORA2A P29274 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
SCHEMBL6044987 0.80 PGK1 (0.38) PGK1PGK2
SCHEMBL4544106 0.80 PGK1 (0.40) PGK1PGK2ADORA2A
SCHEMBL4544102 0.79 PGK1 (0.62) PGK1PGK2
SCHEMBL6045205 0.69 PGK1 (0.31) PGK1PGK2
SCHEMBL6044980 0.65 PGK1 (0.38) PGK1PGK2
SCHEMBL4544109 0.65 PGK1 (0.41) PGK1PGK2
SCHEMBL6044969 0.65 PGK1 (0.60) PGK1PGK2
SCHEMBL6044952 0.60 PGK1 (0.53) PGK1PGK2
SCHEMBL17489025 0.60 PGK1 (0.53) PGK1PGK2
SCHEMBL16277737 0.59 PGK1 (0.67) PGK1PGK2ADORA2A

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-1778699-A4 TARGETING CHELANTS AND CHELATES DOW GLOBAL TECHNOLOGIES INC (US) 2009-02-25 EP disclosed
EP-1778699-A2 TARGETING CHELANTS AND CHELATES Dow Gloval Technologies Inc. (US) 2007-05-02 EP disclosed
US-20060210479-A1 Targeting chelants and chelates DOW GLOBAL TECHNOLOGIES INC. (US) 2006-09-21 US disclosed
WO-2006020779-A2 TARGETING CHELANTS AND CHELATES DOW GLOBAL TECHNOLOGIES INC. (US) 2006-02-23 WO 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-20060210479-A1 Targeting chelants and chelates CLTC, CALCOCO2, TFRC PGK1 2785/4885PGK2 2466/4885ADORA2A 4780/4885

“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.