SCHEMBL16319001

SCHEMBL16319001

CCOP(=O)(CC(=O)CCCCCCCO)OCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL16319152 0.93 PPARD (0.50) PPARDTSHRMAPTCA12CA1
SCHEMBL4942141 0.87 KMT2A (0.47) PPARDTSHRGPR84FFAR1FFAR4
SCHEMBL10431817 0.87 KMT2A (0.47) PPARDTSHRGPR84FFAR1FFAR4
SCHEMBL7616579 0.85 KMT2A (0.44) PPARDTSHRGPR84FFAR1FFAR4
SCHEMBL14549069 0.82 PPARD (0.57) PPARDKDM4ESMN1; SMN2TSHRGPR84
SCHEMBL10049892 0.81 GPR84 (0.40) KDM4ESMN1; SMN2TSHRGPR84FFAR1
SCHEMBL3586482 0.81 TSHR (0.47) PPARDKDM4ETSHRKMT2ACA12
SCHEMBL2371044 0.79 TSHR (0.46) PPARDTSHRMAPTCA12CA1
SCHEMBL18250731 0.78 TSHR (0.55) PPARDTSHRMAPTCA12CA1
SCHEMBL1497353 0.76 TSHR (0.43) PPARDKDM4ETSHRMAPTCA12

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 10 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-9783559-B2 β-Ketophosphonic acids and dental materials based thereon IVOCLAR VIVADENT AG (LI) 2017-10-10 US 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
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
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 1522/4885KDM4E 2909/4885SMN1; SMN2 4341/4885

“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.