SCHEMBL15218683

SCHEMBL15218683

CCCCC(CC)COC(=O)CCC(=O)OCC(C)OCC(C)OC(=O)CCC(=O)OCC(CC)CCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.64
TSHR P16473 3/20 0.64
ATM Q13315 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
CA2 P00918 2/20 0.44
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL29508241 0.84 LMNA (0.54) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL29406945 0.84 LMNA (0.54) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL44320 0.84 CYP3A4 (0.89) CYP3A4TSHRATMTDP1RECQL
SCHEMBL1833853 0.83 LMNA (0.61) ALDH1A1LMNAMAPTPRKCAPRKCE
Magnesium SCHEMBL31454400 0.82 CYP3A4 (0.86) CYP3A4TSHRATMTDP1RECQL
SCHEMBL31338802 0.82 CYP3A4 (0.86) CYP3A4TSHRATMTDP1RECQL
SCHEMBL1336595 0.82 CYP3A4 (0.86) CYP3A4TSHRATMTDP1RECQL
SCHEMBL6014128 0.82 CYP3A4 (0.86) CYP3A4TSHRATMTDP1RECQL
Ammonia Solution, Strong SCHEMBL16192512 0.82 CYP3A4 (0.86) CYP3A4TSHRATMTDP1RECQL
Calcium SCHEMBL31454404 0.82 CYP3A4 (0.86) CYP3A4TSHRATMTDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621455-B1 POLYMERIZABLE DENTAL MATERIAL COMPRISING A REACTIVE PASTE FORMER, HARDENED DENTAL MATERIAL AND USE THEREOF KETTENBACH GMBH & CO KG (DE) 2019-06-26 EP disclosed
US-9114079-B2 Polymerizable dental material comprising reactive paste formers, hardened dental material and use thereof KETTENBACH GMBH & CO. KG (DE) 2015-08-25 US disclosed
US-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof KETTENBACH GMBH & CO. KG (DE) 2013-08-29 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 (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-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof ME1, ME2, ME3 CYP3A4 3041/4885TSHR 4358/4885ATM 587/4885

“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.