SCHEMBL21541950

SCHEMBL21541950

C=CC(=O)OC(CCCCCCCC)OP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.66
PTPN1 P18031 1/20 0.43
FDPS P14324 4/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
S1PR2 O95136 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR4 O95977 4/20 0.40
LAP3 P28838 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38

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
SCHEMBL28013609 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL21541952 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL30409620 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL28974319 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL22471729 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL23581995 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL22129973 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL21496268 1.00 SMPD1 (0.66) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL6783963 0.98 SMPD1 (0.63) SMPD1PTPN1FDPSTSHRHPGD
SCHEMBL6791410 0.94 SMPD1 (0.56) SMPD1PTPN1FDPSTSHRHPGD

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
EP-3804688-B1 ONE PACK-TYPE DENTAL ADHESIVE COMPOSITION SHOFU INC (JP) 2025-01-22 EP disclosed
US-11602490-B2 One pack-type dental adhesive composition SHOFU INC. (JP) 2023-03-14 US disclosed
US-11207247-B2 Low water-sensitive dental composition SHOFU INC. (JP) 2021-12-28 US disclosed
US-11033465-B2 Dental adhesive composition including chain transfer agent SHOFU INC. (JP) 2021-06-15 US disclosed
EP-3566689-B1 DENTAL ADHESIVE COMPOSITION INCLUDING CHAIN TRANSFER AGENT SHOFU INC (JP) 2021-03-17 EP disclosed
US-20210007938-A1 LOW WATER-SENSITIVE DENTAL COMPOSITION SHOFU INC. (JP) 2021-01-14 US disclosed
EP-3733151-A1 LOW-WATER-SENSITIVE DENTAL COMPOSITION Shofu Inc. (JP) 2020-11-04 EP disclosed
EP-3566689-A2 DENTAL ADHESIVE COMPOSITION INCLUDING CHAIN TRANSFER AGENT Shofu Inc. (JP) 2019-11-13 EP 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 (3 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-20210007938-A1 LOW WATER-SENSITIVE DENTAL COMPOSITION MGMT, DNMT3A, TAS2R1 SMPD1 2923/4885PTPN1 1147/4885FDPS 4053/4885
US-11207247-B2 Low water-sensitive dental composition MGMT, DNMT3A, TAS2R1 SMPD1 2923/4885PTPN1 1147/4885FDPS 4053/4885
US-11602490-B2 One pack-type dental adhesive composition ITGA1, TAS2R1, ITGB1 SMPD1 3122/4885PTPN1 2594/4885FDPS 3465/4885

“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.