SCHEMBL19409698

SCHEMBL19409698

C=C(C)C(=O)OCCCCCCCCCC(OP(=O)(O)O)OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
SMPD1 P17405 3/20 0.54
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.35
PTPN1 P18031 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
PLA2G2A P14555 2/20 0.32
CYP3A4 P08684 1/20 0.30

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
SCHEMBL19405753 0.85 TSHR (0.51) TSHRSMPD1POLBAPEX1HTT
SCHEMBL19405710 0.85 TSHR (0.51) TSHRSMPD1POLBAPEX1HTT
SCHEMBL19418243 0.83 TSHR (0.49) TSHRSMPD1POLBAPEX1HTT
SCHEMBL19417973 0.83 TSHR (0.49) TSHRSMPD1POLBAPEX1HTT
SCHEMBL19409701 0.81 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19405762 0.81 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL328746 0.81 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2996070 0.81 SMPD1 (0.46) TSHRSMPD1LPAR3LPAR1LPAR2
SCHEMBL541106 0.81 TSHR (0.47) TSHRSMPD1POLBAPEX1HTT
SCHEMBL541808 0.81 TSHR (0.47) TSHRSMPD1POLBAPEX1HTT

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 2098/4885SMPD1 4711/4885POLB 2658/4885
US-20170281475-A1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON NR1I3, NR1I2, GRIN1 TSHR 2098/4885SMPD1 4711/4885POLB 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.