SCHEMBL5017491

SCHEMBL5017491

CC/C=C\CC(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ KMT2A Q03164 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ HSD11B1 P28845 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
SCHEMBL5015412 1.00 CNR2 (0.50) CNR2CNR1KMT2AHPGDALDH1A1
SCHEMBL5015382 0.81 CNR2 (0.71) CNR2CNR1KMT2AHPGDALDH1A1
SCHEMBL5015349 0.81 CNR2 (0.71) CNR2CNR1KMT2AHPGDALDH1A1
SCHEMBL28664096 0.79 EPHX1 (0.59) KMT2AHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL12555962 0.74 ALDH1A1 (0.81) CNR2CNR1KMT2AHPGDALDH1A1
SCHEMBL15055532 0.74 — —
SCHEMBL23076115 0.73 POLB (0.55) CNR2CNR1KMT2AHPGDALDH1A1
SCHEMBL256673 0.73 — —
SCHEMBL11682924 0.73 MTNR1A (0.50) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL26253130 0.73 MTNR1A (0.41) CNR2CNR1KMT2AHPGDALDH1A1

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 8 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-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 1556/4885KMT2A 1321/4885

“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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