SCHEMBL2455708

SCHEMBL2455708

CCOP(=O)(CCCC(C)C=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
AOX1 Q06278 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL559843 0.89 PPARD (0.47) PPARDTSHRTDP1AOX1TP53
SCHEMBL11508933 0.76 TSHR (0.46) PPARDTSHRALDH1A1TDP1TP53
SCHEMBL7268189 0.75 PPARD (0.64) PPARDTSHRTDP1TP53
SCHEMBL5017294 0.75 PPARD (0.64) PPARDTSHRTDP1TP53
SCHEMBL2461317 0.74 PPARD (0.53) PPARDTSHRALDH1A1TDP1
SCHEMBL11818944 0.73 PPARD (0.47) PPARDTSHRTDP1TP53
SCHEMBL7268183 0.73 PPARD (0.61) PPARDTSHRTDP1TP53
SCHEMBL11323349 0.73 PPARD (0.61) PPARDTSHRTDP1TP53
SCHEMBL11514496 0.73 PPARD (0.61) PPARDTSHRTDP1TP53
SCHEMBL2458491 0.72 ALDH1A1 (0.57) ALDH1A1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity MONTERO JEAN-LOUIS 2006-10-26 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 (2 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-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity CD4, PRKCD, PRKCZ PPARD 293/4885TSHR 1416/4885ALDH1A1 4279/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 PPARD 529/4885TSHR 2353/4885ALDH1A1 4789/4885

“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.