Isovanillic Acid

Isovanillic Acid

SCHEMBL4450461

COc1ccc(C(=O)O)cc1O.[Fe]

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
CA12 O43570 3/20 0.69
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA4 P22748 3/20 0.69
CA6 P23280 3/20 0.69
CA7 P43166 3/20 0.69
CA9 Q16790 3/20 0.69
CA14 Q9ULX7 3/20 0.69
TPMT P51580 2/20 0.69
LMNA P02545 2/20 0.62
MAPK1 P28482 1/20 0.62
RAB9A P51151 1/20 0.62
PTGS2 P35354 2/20 0.61
PKM P14618 2/20 0.60
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60

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
Isovanillic Acid SCHEMBL29883459 0.98 HTT (0.72) HTTCA12CA1CA2CA4
Isovanillic Acid SCHEMBL180473 0.98 HTT (0.72) HTTCA12CA1CA2CA4
Vanillic Acid SCHEMBL8853983 0.85 HTT (0.96) HTTCA12CA1CA2CA4
SCHEMBL27575811 0.84 TUBB4A (0.80) HTTLMNARAB9ATUBB4ATUBB
SCHEMBL7820973 0.83 MEN1 (0.59) HTTCA12CA1CA2CA4
Vanillic Acid SCHEMBL9711598 0.82 HTT (1.00) HTTCA12CA1CA2CA4
Vanillic Acid SCHEMBL26179 0.82 HTT (1.00) HTTCA12CA1CA2CA4
SCHEMBL29757916 0.82 TUBB1 (0.62) HTTLMNARAB9ATUBB4ATUBB
Water SCHEMBL28758018 0.82 TUBB4A (0.77) HTTLMNARAB9ATUBB4ATUBB
Vanillic Acid SCHEMBL29378740 0.82 HTT (1.00) HTTCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2015647-A2 IRON COMPLEX FOR USE IN THE TREATMENT AND/OR PREVENTION OF NUTRITIONAL DISORDERS UNILEVER N.V. (NL) 2009-01-21 EP disclosed
WO-2006037449-A2 IRON COMPLEX FOR USE IN THE TREATMENT AND/OR PREVENTION OF NUTRITIONAL DISORDERS UNILEVER N.V. (NL) 2006-04-13 WO disclosed
US-20060078594-A1 Iron complex CONOPCO, INC., D/B/A UNILEVER 2006-04-13 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 (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-20060078594-A1 Iron complex SLC40A1, FECH, TFRC HTT 535/4885CA12 2678/4885CA1 3810/4885

“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.