SCHEMBL19409701

SCHEMBL19409701

C=C(C)C(=O)OCCCCCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
FDPS P14324 6/20 0.49
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19405762 1.00 TSHR (0.57) TSHRFDPSPOLBAPEX1HTT
SCHEMBL328746 1.00 TSHR (0.57) TSHRFDPSPOLBAPEX1HTT
SCHEMBL1262620 0.84 TSHR (0.54) TSHRFDPSPOLBAPEX1HTT
SCHEMBL1263022 0.84 TSHR (0.54) TSHRFDPSPOLBAPEX1HTT
SCHEMBL5053937 0.84 TSHR (0.53) TSHRFDPSPOLBAPEX1HTT
SCHEMBL19405753 0.82 TSHR (0.51) TSHRFDPSPOLBAPEX1HTT
SCHEMBL19405710 0.82 TSHR (0.51) TSHRFDPSPOLBAPEX1HTT
SCHEMBL15389725 0.81 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12504625 0.81 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2943884 0.81 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188588-B2 Acidic hybrid monomers and dental materials based thereon IVOCLAR VIVADENT AG (LI) 2019-01-29 US disclosed
US-20170281475-A1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON IVOCLAR VIVADENT AG (LI) 2017-10-05 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-10188588-B2 Acidic hybrid monomers and dental materials based thereon NR1I3, NR1I2, GRIN1 TSHR 2098/4885FDPS 4091/4885POLB 2658/4885
US-20170281475-A1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON NR1I3, NR1I2, GRIN1 TSHR 2098/4885FDPS 4091/4885POLB 2658/4885

“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.