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SCHEMBL18539082

SCHEMBL18539082

C=C(C(=O)OCC)C(=O)OCC(CC)(COC(=O)C(=C)C(=O)OCC)COC(=O)C(=C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 1/20 0.42
▸ THRB P10828 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ SOAT1 P35610 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
SCHEMBL16217703 0.88 ALDH1A1 (0.40) ALDH1A1MAPTTSHRTHRBCYP2D6
SCHEMBL17973522 0.86 ALDH1A1 (0.42) ALDH1A1MAPTTSHRTHRBNPSR1
SCHEMBL21870105 0.84 THRB (0.43) ALDH1A1MAPTTSHRTHRB
SCHEMBL21635480 0.84 THRB (0.40) ALDH1A1MAPTTSHRTHRBGLO1
SCHEMBL2519772 0.84 THRB (0.40) ALDH1A1MAPTTSHRTHRBNPSR1
SCHEMBL79588 0.82 ALDH1A1 (0.56) ALDH1A1MAPTTSHRTHRBNPSR1
SCHEMBL28293945 0.82 ALDH1A1 (0.56) ALDH1A1MAPTTSHRTHRBNPSR1
Ammonia Solution, Strong SCHEMBL28294025 0.80 ALDH1A1 (0.54) ALDH1A1MAPTTSHRTHRBNPSR1
SCHEMBL28099320 0.80 ALDH1A1 (0.54) ALDH1A1MAPTTSHRTHRBNPSR1
SCHEMBL23636 0.79 THRB (0.48) ALDH1A1MAPTTSHRTHRBSMN1; SMN2

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-20210129104-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2021-05-06 — — US disclosed
WO-2020020829-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2020-01-30 — — WO 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 (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-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-20210129104-A1 PROCESS FOR PREPARING MICROCAPSULES C5, CAPRIN1, EXOSC9 ALDH1A1 3547/4885MAPT 627/4885TSHR 4171/4885

“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.