SCHEMBL6320126

SCHEMBL6320126

COc1ccc(/C=C/C(=O)N(C)OC)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.69
ALDH1A1 P00352 3/20 0.69
HPGD P15428 2/20 0.69
KDM4E B2RXH2 2/20 0.69
ALOX15 P16050 1/20 0.69
MAPK1 P28482 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NFE2L2 Q16236 1/20 0.67
KMT2A Q03164 3/20 0.65
ABCG2 Q9UNQ0 2/20 0.65
MEN1 O00255 1/20 0.65
BCHE P06276 1/20 0.60
MAOA P21397 1/20 0.60
ACHE P22303 1/20 0.60
MAOB P27338 1/20 0.60
TNFRSF1A P19438 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL6320958 1.00 APP (0.70) APPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL783249 0.90 APP (0.70) APPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL10565714 0.89 ALDH1A1 (0.67) APPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL10467145 0.88 CYP2D6 (0.72) APPALDH1A1HPGDKDM4EALOX15
SCHEMBL7366280 0.84 PDE4B (0.64) APPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL7366277 0.84 PDE4B (0.64) APPSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL2743876 0.83 NFKB1 (0.79) SMN1; SMN2ALDH1A1HPGDKDM4EALOX15
SCHEMBL2743877 0.83 NFKB1 (0.79) SMN1; SMN2ALDH1A1HPGDKDM4EALOX15
SCHEMBL30493821 0.83 NFKB1 (0.79) SMN1; SMN2ALDH1A1HPGDKDM4EALOX15
SCHEMBL15110947 0.83 APP (0.55) APPSMN1; SMN2ALDH1A1HPGDKDM4E

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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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 (2 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 APP 1035/4885SMN1; SMN2 1895/4885ALDH1A1 406/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 APP 3303/4885SMN1; SMN2 3478/4885ALDH1A1 666/4885

“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.