SCHEMBL1099541

SCHEMBL1099541

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nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.34
HTT P42858 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31374766 1.00 TRPA1 (0.34) TRPA1HTTCA14MEN1KMT2A
SCHEMBL31374767 1.00 TRPA1 (0.34) TRPA1HTTCA14MEN1KMT2A
SCHEMBL31374768 0.81 ACE (0.31)
SCHEMBL31020166 0.81 ACE (0.31)
SCHEMBL24993782 0.80 CTSK (0.30)
SCHEMBL13456277 0.79 TRPA1 (0.30) TRPA1
SCHEMBL8708858 0.76 TRPA1 (0.36) TRPA1HTTCA14MEN1KMT2A
SCHEMBL8708552 0.70 TRPA1 (0.32) TRPA1HTTCA14MEN1KMT2A
SCHEMBL28359043 0.70 CYP3A4 (0.37) HTTMEN1KMT2A
SCHEMBL14105444 0.69

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-8153817-B2 Synthesis of methyl nonactate derivatives OHIO UNIVERSITY (US) 2012-04-10 US disclosed
US-8153817-B2 Synthesis of methyl nonactate derivatives OHIO UNIVERSITY (US) 2012-04-10 US disclosed
US-20100056779-A1 SYNTHESIS OF METHYL NONACTATE DERIVATIVES OHIO UNIVERSITY (US) 2010-03-04 US disclosed
US-20100056779-A1 SYNTHESIS OF METHYL NONACTATE DERIVATIVES OHIO UNIVERSITY (US) 2010-03-04 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 (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-20100056779-A1 SYNTHESIS OF METHYL NONACTATE DERIVATIVES AZI2, TET3, TET1 TRPA1 4775/4885HTT 4045/4885CA14 1459/4885

“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.