SCHEMBL18539083

SCHEMBL18539083

C=C(C(=O)OCC)C(=O)OCC1CCC(COC(=O)C(=C)C(=O)OCC)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GLO1 Q04760 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL18499282 0.95 ALDH1A1 (0.39) ALDH1A1MAPTTSHRGAANPSR1
SCHEMBL19184705 0.93 ALDH1A1 (0.38) ALDH1A1MAPTTSHRGAANPSR1
SCHEMBL4960125 0.91 LMNA (0.45) ALDH1A1MAPTTSHRNPSR1L3MBTL1
SCHEMBL19679637 0.90 TSHR (0.44) ALDH1A1MAPTTSHRGAANPSR1
SCHEMBL16217699 0.86 SLC1A3 (0.36) ALDH1A1MAPTTSHRCYP2D6SLC1A3
SCHEMBL19184702 0.86 ALDH1A1 (0.34) ALDH1A1MAPTTSHRGLO1CYP2D6
SCHEMBL16217705 0.85 CASP1 (0.35) ALDH1A1MAPTTSHRCYP2D6L3MBTL1
SCHEMBL79588 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRGAANPSR1
SCHEMBL28293945 0.81 ALDH1A1 (0.56) ALDH1A1MAPTTSHRGAANPSR1
Ammonia Solution, Strong SCHEMBL28294025 0.79 ALDH1A1 (0.54) ALDH1A1MAPTTSHRGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611861-B2 Multifunctional monomers, methods for making multifunctional monomers, polymerizable compositions and products formed thereform NIPPON SHOKUBAI CO., LTD. (JP) 2020-04-07 — — US disclosed
US-10604601-B2 Multifunctional monomers, methods for making multifunctional monomers, polymerizable compositions and products formed therefrom SIRRUS, INC. (US) 2020-03-31 — — US disclosed
US-20170050914-A1 MULTIFUNCTIONAL MONOMERS, METHODS FOR MAKING MULTIFUNCTIONAL MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFORM NIPPON SHOKUBAI CO., LTD. (JP) 2017-02-23 — — US disclosed
US-20170050914-A1 MULTIFUNCTIONAL MONOMERS, METHODS FOR MAKING MULTIFUNCTIONAL MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFORM NIPPON SHOKUBAI CO., LTD. (JP) 2017-02-23 — — 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 (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-20170050914-A1 MULTIFUNCTIONAL MONOMERS, METHODS FOR MAKING MULTIFUNCTIONAL MONOMERS, POLYMERIZABLE COMPOSITIONS AND PRODUCTS FORMED THEREFORM MACF1, BHMT2, MTHFD2 ALDH1A1 531/4885MAPT 1346/4885TSHR 4885/4885
US-10604601-B2 Multifunctional monomers, methods for making multifunctional monomers, polymerizable compositions and products formed therefrom BHMT2, MACF1, BHMT ALDH1A1 560/4885MAPT 996/4885TSHR 4885/4885
US-10611861-B2 Multifunctional monomers, methods for making multifunctional monomers, polymerizable compositions and products formed thereform MACF1, BHMT2, MTHFD2 ALDH1A1 531/4885MAPT 1346/4885TSHR 4885/4885

“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.

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