Acrolein

Acrolein

SCHEMBL5138989

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.C=CC=O

nearest known ligand 0.34

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ TRPA1 O75762 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
Butadiene SCHEMBL3447555 0.90 STAT3 (0.37) STAT3STAT1
Formaldehyde SCHEMBL28139016 0.86 STAT3 (0.39) STAT3STAT1
Formaldehyde SCHEMBL27704074 0.86 STAT3 (0.39) STAT3STAT1
SCHEMBL28265917 0.85 STAT3 (0.41) STAT3STAT1
SCHEMBL27728578 0.84 STAT3 (0.36) STAT3STAT1
SCHEMBL29267780 0.84 STAT3 (0.36) STAT3STAT1
Formic Acid SCHEMBL27490312 0.84 STAT3 (0.36) STAT3STAT1
Formaldehyde SCHEMBL28210465 0.84 STAT3 (0.38) STAT3STAT1
Formaldehyde SCHEMBL28211082 0.84 STAT3 (0.38) STAT3STAT1
Ethylene SCHEMBL10799154 0.83 STAT3 (0.40) STAT3STAT1

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
US-20080280934-A1 Method of Preparing Porphyrin Derivatives, Porphyrin Derivatives, Uses Thereof and Pharmaceutical Compositions SPECTRACURE AB (SE) 2008-11-13 — — US disclosed
EP-1709048-A2 METHOD OF PREPARING PORPHYRIN DERIVATIVES, PORPHYRIN DERIVATIVES, USES THEREOF AND PHARMACEUTICAL COMPOSITIONS Photobiochem N.V. (NL) 2006-10-11 — — EP disclosed
WO-2005058909-A2 METHOD OF PREPARING PORPHYRIN DERIVATIVES, PORPHYRIN DERIVATIVES, USES THEREOF AND PHARMACEUTICAL COMPOSITIONS PHOTOBIOCHEM N.V. (NL) 2005-06-30 — — WO 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-20080280934-A1 Method of Preparing Porphyrin Derivatives, Porphyrin Derivatives, Uses Thereof and Pharmaceutical Compositions PANK2, PPOX, MVD STAT3 1825/4885STAT1 1862/4885TRPA1 1553/4885

“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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