SCHEMBL6786901

SCHEMBL6786901

C=C(C)C(=O)OC(CCCC)OP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.56
TSHR P16473 3/20 0.40
FDPS P14324 6/20 0.38
PTPN1 P18031 1/20 0.36
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL180090 0.95 SMPD1 (0.63) SMPD1TSHRFDPSPTPN1LPAR3
SCHEMBL36372 0.94 SMPD1 (0.66) SMPD1TSHRFDPSPTPN1LPAR3
SCHEMBL21051151 0.94 SMPD1 (0.66) SMPD1TSHRFDPSPTPN1LPAR3
SCHEMBL21051159 0.94 SMPD1 (0.66) SMPD1TSHRFDPSPTPN1LPAR3
SCHEMBL2680757 0.90 SMPD1 (0.46) SMPD1TSHRFDPSPTPN1
SCHEMBL6786896 0.89 TSHR (0.41) SMPD1TSHRFDPS
SCHEMBL6270582 0.86 SMPD1 (0.50) SMPD1TSHRFDPSPTPN1S1PR2
SCHEMBL612282 0.85 TSHR (0.48) SMPD1TSHR
SCHEMBL180089 0.84 SMPD1 (0.47) SMPD1TSHRFDPSPTPN1S1PR2
SCHEMBL2019664 0.83 SMPD1 (0.41) SMPD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468077-A1 Dental adhesive MITSUBISHI RAYON CO., LTD. (JP) 1992-01-29 EP claimed
CN-110402478-B Surface treatment composition, method for producing same, surface treatment method using surface treatment composition, and method for producing semiconductor substrate 福吉米株式会社 2023-07-04 CN disclosed
CN-110383426-B Surface treatment composition, method for producing same, surface treatment method using surface treatment composition, and method for producing semiconductor substrate 福吉米株式会社 2023-05-09 CN disclosed
US-11028340-B2 Composition for surface treatment, method for producing the same, surface treatment method using composition for surface treatment, and method for producing semiconductor substrate FUJIMI INCORPORATED (JP) 2021-06-08 US disclosed
US-10876073-B2 Composition for surface treatment, and method for surface treatment using the same FUJIMI INCORPORATED 2020-12-29 US disclosed
US-20190177656-A1 COMPOSITION FOR SURFACE TREATMENT, AND METHOD FOR SURFACE TREATMENT USING THE SAME FUJIMI INCORPORATED (JP) 2019-06-13 US disclosed
US-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses 3M ESPE AG (DE) 2004-12-23 US disclosed
EP-0509516-B1 Dental restoration composition SANKIN IND CO (JP) 1997-03-26 EP disclosed
EP-0509516-A2 Dental restoration composition SANKIN KOGYO KABUSHIKI KAISHA (JP) 1992-10-21 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 (1 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-20040259992-A1 Two-component adhesion promoter combination of an unsaturated alkoxysilane and a mercaptoalkyl alkoxysilane, for use in dental prostheses ITGA2, ITGB2, ITGA2B SMPD1 3800/4885TSHR 3882/4885FDPS 1382/4885

“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.