Vanillin

Vanillin

SCHEMBL5529254

COc1cc(C=O)ccc1O.OCc1ccccc1

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.71
▸ HPGD P15428 2/20 0.71
▸ TRIM24 O15164 1/20 0.71
▸ ALDH5A1 P51649 1/20 0.71
▸ ABAT P80404 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ TRIM33 Q9UPN9 1/20 0.71
▸ CA12 O43570 2/20 0.60
▸ CA4 P22748 2/20 0.60
▸ CA6 P23280 2/20 0.60
▸ CA5A P35218 2/20 0.60
▸ CA7 P43166 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ CA14 Q9ULX7 2/20 0.60
▸ CA5B Q9Y2D0 2/20 0.60
▸ TTR P02766 2/20 0.57
▸ SHBG P04278 1/20 0.56
▸ MAPT P10636 2/20 0.54
▸ APP P05067 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54

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
Vanillin SCHEMBL28865251 0.89 ALDH1A1 (0.68) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL5520253 0.88 ALDH1A1 (0.76) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL27845333 0.88 ALDH1A1 (0.93) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL28295327 0.87 ALDH1A1 (0.69) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL4259101 0.87 ALDH1A1 (0.69) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL8320727 0.86 ALDH1A1 (0.83) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL29175199 0.86 ALDH1A1 (0.96) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL26927685 0.85 ALDH1A1 (0.76) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL19838304 0.85 ALDH1A1 (0.81) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Vanillin SCHEMBL28601372 0.85 ALDH1A1 (0.81) ALDH1A1HPGDTRIM24ALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689577-B2 Bondable flame-retardant vanillin-derived molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 — — US claimed
US-10689580-B2 Flame-retardant vanillin-derived monomers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 — — US claimed
US-20190225888-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-07-25 — — US claimed
US-20190106632-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-04-11 — — US claimed
US-20180320073-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-08 — — US claimed
US-20180320075-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-08 — — US claimed
US-10689577-B2 Bondable flame-retardant vanillin-derived molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 — — US disclosed
US-10689580-B2 Flame-retardant vanillin-derived monomers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-06-23 — — US disclosed
US-20190225888-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-07-25 — — US disclosed
US-10266771-B2 Bondable flame-retardant vanillin-derived molecules INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-04-23 — — US disclosed
US-10266772-B2 Flame-retardant vanillin-derived monomers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-04-23 — — US disclosed
US-20190106632-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-04-11 — — US disclosed
US-20180320073-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-08 — — US disclosed
US-20180320075-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-11-08 — — US disclosed
US-20070087094-A1 Process for improving the durability of, and/or stabilizing, microbially perishable products SCHUER JOERG P 2007-04-19 — — US disclosed
US-7108879-B2 Process for improving the durability of, and/or stabilizing, microbially perishable products SCHUR JORG PETER 2006-09-19 — — US disclosed
US-6514551-B1 Adjuvant comprising microbicidally active flavoring agent; cutting agent which comprises an antimicrobial composition of benzyl alcohol, flavoring polyphenol and a vegetable oil SCHUR JORG PETER (DE) 2003-02-04 — — 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 (8 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-10689580-B2 Flame-retardant vanillin-derived monomers PFAS, VCL, PTK2 ALDH1A1 1494/4885HPGD 2301/4885TRIM24 3201/4885
US-10689577-B2 Bondable flame-retardant vanillin-derived molecules PFAS, VCL, PTK2 ALDH1A1 1519/4885HPGD 2928/4885TRIM24 3767/4885
US-20180320073-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES PFAS, VCL, PTK2 ALDH1A1 1519/4885HPGD 2928/4885TRIM24 3767/4885
US-20190225888-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS PFAS, VCL, PTK2 ALDH1A1 1494/4885HPGD 2301/4885TRIM24 3201/4885
US-20190106632-A1 BONDABLE FLAME-RETARDANT VANILLIN-DERIVED MOLECULES PFAS, VCL, PTK2 ALDH1A1 1519/4885HPGD 2928/4885TRIM24 3767/4885
US-20180320075-A1 FLAME-RETARDANT VANILLIN-DERIVED MONOMERS PFAS, VCL, PTK2 ALDH1A1 1494/4885HPGD 2301/4885TRIM24 3201/4885
US-10266772-B2 Flame-retardant vanillin-derived monomers PFAS, VCL, PTK2 ALDH1A1 1494/4885HPGD 2301/4885TRIM24 3201/4885
US-10266771-B2 Bondable flame-retardant vanillin-derived molecules PFAS, VCL, PTK2 ALDH1A1 1519/4885HPGD 2928/4885TRIM24 3767/4885

“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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