SCHEMBL5016624

SCHEMBL5016624

C/C=C/C=C/C(=O)NCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.53
CNR1 P21554 10/20 0.53
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
TRPA1 O75762 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
RAB9A P51151 1/20 0.39
SLC6A19 Q695T7 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5016626 1.00 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL19629155 0.91 CNR2 (0.42) CNR2CNR1PPARGPPARDPPARA
SCHEMBL1099502 0.83
SCHEMBL4138284 0.83
SCHEMBL11103679 0.82 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL11103678 0.82 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL2535335 0.80 SLC6A19 (0.44) SLC6A19ALDH1A1
SCHEMBL1395660 0.80 SLC6A19 (0.44) SLC6A19ALDH1A1
SCHEMBL1395636 0.80 SLC6A19 (0.44) SLC6A19ALDH1A1
SCHEMBL9531499 0.79 CNR2 (0.47) CNR2CNR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012036383-A3 USE OF A PROTEIN TYROSINE KINASE INHIBITOR FOR INDUCING THE DIFFERENTIATION OF MESENCHYMAL STEM CELLS INTO CARDIOGENIC CELLS 파미셀 주식회사 (KR) 2012-05-10 WO disclosed
EP-1927587-B1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INT FLAVORS & FRAGRANCES INC (US) 2011-12-07 EP disclosed
EP-1927587-B1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INT FLAVORS & FRAGRANCES INC (US) 2011-12-07 EP disclosed
EP-1927587-A2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2008-06-04 EP disclosed
EP-1927587-A2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2008-06-04 EP disclosed
US-7329767-B2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-02-12 US disclosed
US-7329767-B2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-02-12 US disclosed
US-7329767-B2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-02-12 US disclosed
US-20050075368-A1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC.WW 2005-04-07 US disclosed
EP-1520850-A2 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-04-06 EP 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-20050075368-A1 Conjugated dienamides, methods of production thereof, compositions containing same and uses thereof TAS2R41, TAS2R42, TAS2R14 CNR2 1265/4885CNR1 1556/4885PPARG 1739/4885

“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.