SCHEMBL258100

SCHEMBL258100

O=C(O)/C(O)=C(\O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)CO

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
KDM4E B2RXH2 2/20 0.34
OR51E2 Q9H255 1/20 0.31
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL3067831 1.00 PDE4A (0.59) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL19952978 1.00 PDE4A (0.59) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL19952979 1.00 PDE4A (0.59) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL288150 1.00 PDE4A (0.59) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL29563836 1.00 PDE4A (0.59) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL2135451 0.92 PDE4A (0.55) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL887710 0.92 PDE4A (0.55) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL3764484 0.82 PDE4A (0.44) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL14940504 0.82 PDE4A (0.44) PDE4ALMNATDP1L3MBTL1USP2
SCHEMBL677609 0.82 PDE4A (0.44) PDE4ALMNATDP1L3MBTL1USP2

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-8063107-B2 Use of trans-pellitorin as flavor substance SYMRISE AG (DE) 2011-11-22 US disclosed
US-20100291005-A1 USE OF TRANS-PELLITORIN AS FLAVOR SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2010-11-18 US disclosed
US-7776923-B2 Use of trans-pellitorin as flavor substance SYMRISE GMBH & CO. KG (DE) 2010-08-17 US disclosed
US-20040241312-A1 Use of 2E,4E-decadienoic acid isobutylamide for imparting a salivation inducing effect to a foodstuff, an oral hygiene preparation or a gourmet or snack preparation; preparation by amidating a dodecadienoate with isobutylamine SYMRISE AG (DE) 2004-12-02 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-20100291005-A1 USE OF TRANS-PELLITORIN AS FLAVOR SUBSTANCE PTMA, TAS2R14, TAS2R16 PDE4A 764/4885LMNA 3818/4885TDP1 2780/4885

“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.