SCHEMBL3343063

SCHEMBL3343063

C=CC(=O)NC(CCC)CCP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.46
TAS1R1 Q7RTX1 10/20 0.46
TSHR P16473 2/20 0.40
FDPS P14324 1/20 0.37
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 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
SCHEMBL28051928 0.86 TAS1R3 (0.58) TAS1R3TAS1R1TSHRALDH1A1MAPK1
SCHEMBL2558578 0.85 TAS1R3 (0.44) TAS1R3TAS1R1TSHRFDPSZDHHC20
SCHEMBL3345153 0.82 TAS1R3 (0.42) TAS1R3TAS1R1TSHRALDH1A1MAPK1
SCHEMBL337892 0.81 TSHR (0.44) TAS1R3TAS1R1TSHRFDPSALDH1A1
SCHEMBL8849822 0.80 TAS1R3 (0.51) TAS1R3TAS1R1TSHRALDH1A1MAPK1
SCHEMBL10877800 0.80 TAS1R3 (0.51) TAS1R3TAS1R1TSHRZDHHC20ZDHHC2
SCHEMBL6566575 0.79 TAS1R3 (0.50) TAS1R3TAS1R1TSHRALDH1A1MAPK1
SCHEMBL6510485 0.78 TAS1R3 (0.50) TAS1R3TAS1R1TSHRALDH1A1MAPK1
SCHEMBL6251762 0.78 TAS1R3 (0.49) TAS1R3TAS1R1TSHRALDH1A1MAPK1
SCHEMBL10613517 0.77 ZDHHC20 (0.51) TAS1R3TAS1R1TSHRALDH1A1MAPK1

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
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2008-08-14 US disclosed
EP-1437999-B1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2006-12-20 EP disclosed
US-20040266906-A1 Hydrolysis stable self-etching,self-priming adhesive KLEE JOACHIM (DE) 2004-12-30 US disclosed
EP-1437999-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GmbH (DE) 2004-07-21 EP disclosed
WO-2003035013-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2003-05-01 WO 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-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 TAS1R3 1414/4885TAS1R1 336/4885TSHR 4745/4885
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 TAS1R3 1414/4885TAS1R1 336/4885TSHR 4745/4885

“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.