SCHEMBL6044960

SCHEMBL6044960

CCCCOC(O)([PH2]=O)c1cccc(CP(=O)(O)OCCCC)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
GGPS1 O95749 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CETP P11597 3/20 0.31

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 0.84 PGK1 (0.38) PGK1PGK2HPGDLMNA
SCHEMBL6044956 0.82 PGK1 (0.35) PGK1PGK2GGPS1PLA2G2DHSD17B10
SCHEMBL6044952 0.80 PGK1 (0.53) PGK1PGK2CETP
SCHEMBL4544108 0.76 PGK1 (0.40) PGK1PGK2
SCHEMBL6045069 0.73 LPAR3 (0.33) GGPS1CETP
SCHEMBL6044980 0.68 PGK1 (0.38) PGK1PGK2HPGDLMNA
SCHEMBL6044962 0.67 PGK1 (0.35) PGK1PGK2PLA2G2DCETP
SCHEMBL6044969 0.66 PGK1 (0.60) PGK1PGK2HPGDLMNA
SCHEMBL1246418 0.64 CETP (0.58) CETP
SCHEMBL4544106 0.62 PGK1 (0.40) PGK1PGK2

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 2466/4885GGPS1 3852/4885

“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.