SCHEMBL15218680

SCHEMBL15218680

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 4/20 0.49
ATM Q13315 2/20 0.49
ALDH1A1 P00352 6/20 0.44
CA2 P00918 3/20 0.44
RECQL P46063 1/20 0.42
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 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
HCAR2 Q8TDS4 2/20 0.36
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL21107410 0.93 TSHR (0.50) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL10499083 0.84 TSHR (0.65) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL3514269 0.84 TSHR (0.65) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL28060902 0.84 TSHR (0.65) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL10499091 0.84 TSHR (0.65) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL87501 0.84 TSHR (0.77) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL226708 0.84 TSHR (0.77) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL423544 0.84 TSHR (0.77) TSHRTDP1CYP3A4ATMALDH1A1
Butane SCHEMBL10783052 0.82 TSHR (0.75) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL15218683 0.81 CYP3A4 (0.64) TSHRTDP1CYP3A4ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381140-B2 Radically polymerisable dental material, cured product and usage KETTENBACH GMBH & CO. KG (DE) 2016-07-05 US disclosed
US-9381140-B2 Radically polymerisable dental material, cured product and usage KETTENBACH GMBH & CO. KG (DE) 2016-07-05 US 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-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-20150231041-A1 Radically Polymerisable Dental Material, Cured Product and Usage KETTENBACH GMBH & CO. KG (DE) 2015-08-20 US disclosed
US-20150231041-A1 Radically Polymerisable Dental Material, Cured Product and Usage KETTENBACH GMBH & CO. KG (DE) 2015-08-20 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
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 (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-20130225699-A1 Polymerizable Dental Material Comprising Reactive Paste Formers, Hardened Dental Material and Use Thereof ME1, ME2, ME3 TSHR 4358/4885TDP1 2708/4885CYP3A4 3041/4885
US-20150231041-A1 Radically Polymerisable Dental Material, Cured Product and Usage MMAB, MTCL3, TUBB4B TSHR 2630/4885TDP1 2699/4885CYP3A4 644/4885

“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.