SCHEMBL6044962

SCHEMBL6044962

CCCCO/[P+]([O-])=C(\O)c1cccc(CP(=O)(O)OCCCC)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CETP P11597 3/20 0.33
PLA2G2D Q9UNK4 1/20 0.33
HIF1A Q16665 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
SCHEMBL6044992 0.84 PGK1 (0.38) PGK1PGK2
SCHEMBL6044952 0.80 PGK1 (0.53) PGK1PGK2CETP
SCHEMBL6044956 0.67 PGK1 (0.35) PGK1PGK2CETPPLA2G2D
SCHEMBL6044960 0.67 PGK1 (0.35) PGK1PGK2CETPPLA2G2D
SCHEMBL1246418 0.66 CETP (0.58) CETPHIF1A
SCHEMBL6044969 0.66 PGK1 (0.60) PGK1PGK2
Benzene SCHEMBL27735295 0.64 CYP3A4 (0.56) CETP
SCHEMBL17489025 0.62 PGK1 (0.53) PGK1PGK2
SCHEMBL11297495 0.62 CETP (0.63) CETPPLA2G2D
SCHEMBL11317193 0.62 CETP (0.63) CETPPLA2G2D

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 2466/4885CETP 4295/4885

“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.