SCHEMBL6044992

SCHEMBL6044992

CCO/[P+]([O-])=C(\O)c1cccc(CP(=O)(O)OCC)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
CYP1A2 P05177 1/20 0.35
BRD4 O60885 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NR1I2 O75469 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6044962 0.84 PGK1 (0.35) PGK1PGK2
SCHEMBL4544109 0.81 PGK1 (0.41) PGK1PGK2CYP1A2BRD4
SCHEMBL6044969 0.78 PGK1 (0.60) PGK1PGK2CYP1A2POLBMEN1
SCHEMBL6044952 0.65 PGK1 (0.53) PGK1PGK2
SCHEMBL17489025 0.65 PGK1 (0.53) PGK1PGK2CYP1A2MEN1KMT2A
SCHEMBL4544102 0.64 PGK1 (0.62) PGK1PGK2CYP1A2POLBNPSR1
SCHEMBL5010543 0.64 PGK1 (0.52) PGK1PGK2MAPTPOLBNPSR1
SCHEMBL6044980 0.63 PGK1 (0.38) PGK1PGK2CYP1A2
SCHEMBL6044987 0.63 PGK1 (0.38) PGK1PGK2CYP1A2NR1I2
SCHEMBL915800 0.62 TSHR (0.52) POLBMEN1KMT2ANR1I2NPSR1

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-20060210479-A1 Targeting chelants and chelates DOW GLOBAL TECHNOLOGIES INC. (US) 2006-09-21 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-20060210479-A1 Targeting chelants and chelates CLTC, CALCOCO2, TFRC PGK1 2785/4885PGK2 2466/4885CYP1A2 4844/4885

“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.