SCHEMBL2957697

SCHEMBL2957697

C=CCCCP(=O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.48
TSHR P16473 5/20 0.44
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
AOX1 Q06278 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL1219734 0.94 PPARD (0.47) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL8993904 0.92 LPAR3 (0.47) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL9701750 0.92 LPAR3 (0.47) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL2955740 0.92 LPAR3 (0.47) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL212199 0.87 PPARD (0.52) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL2382263 0.81 PPARD (0.50) PPARDTSHRTDP1AOX1TP53
SCHEMBL9700826 0.80 TP53 (0.41) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL9700821 0.80 PPARD (0.53) PPARDTSHRLPAR2LPAR3ALDH1A1
SCHEMBL7268189 0.79 PPARD (0.64) PPARDTSHRTDP1TP53
SCHEMBL5017294 0.79 PPARD (0.64) PPARDTSHRTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234985-B2 Birefringent polymer brush structures formed by surface initiated ring-opening metathesis polymerization CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-01-12 US disclosed
US-20140049823-A1 BIREFRINGENT POLYMER BRUSH STRUCTURES FORMED BY SURFACE INITIATED RING-OPENING METATHESIS POLYMERIZATION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-02-20 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-20060280719-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2006-12-14 US disclosed
US-7109184-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-09-19 US disclosed
EP-1485391-B1 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORP (US) 2006-08-23 EP disclosed
EP-1485391-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-12-15 EP disclosed
US-20040019020-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003080630-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-10-02 WO disclosed
EP-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP 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-20060280719-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC43A1 PPARD 3322/4885TSHR 76/4885LPAR2 1433/4885
US-20040019020-A1 Phosphate transport inhibitors SLC34A2, SLC43A1, SLC34A1 PPARD 3859/4885TSHR 194/4885LPAR2 2181/4885

“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.