SCHEMBL6045256

SCHEMBL6045256

CCOP(=O)(O)Cc1cc(CP(=O)(O)OCC)cc(CP(=O)(O)OCC)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.50
PGK1 P00558 1/20 0.48
PGK2 P07205 1/20 0.48
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.37
HMGCR P04035 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 3/20 0.36
HTT P42858 1/20 0.36
PTPRB P23467 2/20 0.35

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
SCHEMBL6028463 0.88 PPARD (0.44) PPARDPGK1PGK2POLBHMGCR
SCHEMBL17488978 0.86 PPARD (0.50) PPARDPGK1PGK2POLBTSHR
SCHEMBL9549401 0.85 PPARD (0.41) PPARDPGK1PGK2POLBHMGCR
SCHEMBL7046484 0.85 PPARD (0.41) PPARDPGK1PGK2POLB
SCHEMBL915468 0.83 PPARD (0.40) PPARDTP53HDAC1CETP
SCHEMBL915800 0.81 TSHR (0.52) PPARDPOLBTSHRCETP
SCHEMBL915746 0.80 KDM4E (0.46) PPARDPOLBTDP1HDAC1MAPT
SCHEMBL16790520 0.80 HMGCR (0.48) PPARDPGK1PGK2POLBTSHR
SCHEMBL45804 0.80 HMGCR (0.62) POLBTSHRTP53HMGCRMAPT
SCHEMBL914541 0.79 PPARD (0.44) PPARDPGK1PGK2POLBTSHR

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 PPARD 2952/4885PGK1 2785/4885PGK2 2466/4885

“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.