SCHEMBL4807659

SCHEMBL4807659

CCCCC(CC)COC(=O)/C(C#N)=C\c1ccc(NC(=O)C(CC)CCCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.47
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL14163398 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4807663 1.00 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5408071 0.89 KDM4E (0.53) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4815079 0.89 KDM4E (0.53) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4815087 0.89 KDM4E (0.53) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL14163363 0.88 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL10644154 0.88 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL14437453 0.87 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4813060 0.85 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4813058 0.85 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390916-B2 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2008-06-24 US disclosed
US-20070249853-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2007-10-25 US disclosed
US-7255853-B2 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2007-08-14 US disclosed
US-20040175337-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2004-09-09 US disclosed
US-6749839-B2 TOPICAL SUNSCREENS FOR HAIR OR SKIN L'OREAL (FR) 2004-06-15 US disclosed
US-20030031691-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile L'OREAL (FR) 2003-02-13 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 (3 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-20040175337-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile CBR3, CBR1, H1-10 ALDH1A1 812/4885MAPT 3836/4885MAPK1 1727/4885
US-20030031691-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile CBR3, CBR1, NAA50 ALDH1A1 770/4885MAPT 3839/4885MAPK1 1781/4885
US-20070249853-A1 Photoprotective cosmetic compositions containing aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile and novel aromatic amide, sulphonamide or carbamate derivatives of acrylonitrile CBR3, C1R, H1-3 ALDH1A1 1614/4885MAPT 3975/4885MAPK1 2908/4885

“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.