SCHEMBL2463019

SCHEMBL2463019

C=C(C)CCCP(=O)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.52
TSHR P16473 2/20 0.43
BTN3A1 O00481 1/20 0.39
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL2456739 0.88 PPARD (0.56) PPARDTSHRBTN3A1TP53TDP1
SCHEMBL2990604 0.82 PPARD (0.54) PPARDTSHRCA12CA1CA2
SCHEMBL7268189 0.78 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL5017294 0.78 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL24475840 0.78 PPARD (0.54) PPARDTSHRTP53TDP1CA12
SCHEMBL2383184 0.78 PPARD (0.54) PPARDTSHRTDP1
SCHEMBL6839745 0.76 PPARD (0.52) PPARDTSHRTP53TDP1CA12
SCHEMBL29169497 0.76 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL24476440 0.76 PPARD (0.47) PPARDTSHRCA12CA1CA2
SCHEMBL11323349 0.75 PPARD (0.61) PPARDTSHRTP53TDP1

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-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
US-6902608-B2 Dental material containing phosphonic acids ERNST MUHLBAUER GMBH & CO., KG (DE) 2005-06-07 US disclosed
US-20030167968-A1 Dental material containing phosphonic acids MÜHLBAUER TECHNOLOGY GMBH (DE) 2003-09-11 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 (3 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-20030167968-A1 Dental material containing phosphonic acids PHOSPHO1, EPN1, PTK2 PPARD 1569/4885TSHR 4681/4885BTN3A1 1740/4885
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity CD4, PRKCD, PRKCZ PPARD 293/4885TSHR 1416/4885BTN3A1 417/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 PPARD 529/4885TSHR 2353/4885BTN3A1 797/4885

“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.