SCHEMBL16319152

SCHEMBL16319152

CCOP(=O)(CC(=O)CCCO)OCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.50
TSHR P16473 2/20 0.41
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CAMK2A Q9UQM7 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL16319001 0.93 PPARD (0.47) PPARDTSHRCA12CA1CA2
SCHEMBL7616579 0.85 KMT2A (0.44) PPARDTSHRMAPTTDP1
SCHEMBL10431817 0.83 KMT2A (0.47) PPARDTSHRMAPTTDP1
SCHEMBL4942141 0.83 KMT2A (0.47) PPARDTSHRMAPTTDP1
SCHEMBL2371044 0.82 TSHR (0.46) PPARDTSHRCA12CA1CA2
SCHEMBL18250731 0.81 TSHR (0.55) PPARDTSHRCA12CA1CA2
SCHEMBL3586482 0.80 TSHR (0.47) PPARDTSHRCA12CA1CA2
SCHEMBL1497353 0.78 TSHR (0.43) PPARDTSHRCA12CA1CA2
SCHEMBL14549069 0.78 PPARD (0.57) PPARDTSHRCA12CA1CA2
SCHEMBL712616 0.77 TSHR (0.50) PPARDTSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2816049-B1 ß-ketophosphonic acids and all dental materials based thereon IVOCLAR VIVADENT AG (LI) 2018-05-30 EP disclosed
US-9783559-B2 β-Ketophosphonic acids and dental materials based thereon IVOCLAR VIVADENT AG (LI) 2017-10-10 US disclosed
US-20160145277-A1 B-Ketophosphonic Acids And Dental Materials Based Thereon IVOCLAR VIVADENT AG (LI) 2016-05-26 US disclosed
CN-105283460-A [Beta]-ketophosphonic acids and dental materials based thereon IVOCLAR VIVADENT AG 2016-01-27 CN disclosed
WO-2014202176-A1 ß-KETOPHOSPHONIC ACIDS AND DENTAL MATERIALS BASED THEREON IVOCLAR VIVADENT AG (LI) 2014-12-24 WO disclosed
EP-2816049-A1 ß-ketophosphonic acids and all dental materials based thereon Ivoclar Vivadent AG (LI) 2014-12-24 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 (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-20160145277-A1 B-Ketophosphonic Acids And Dental Materials Based Thereon CYP2B6, GRM6, VKORC1 PPARD 1522/4885TSHR 4030/4885CA12 753/4885

“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.