SCHEMBL294482

SCHEMBL294482

C=CC(=O)NCCC(C)(Sc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TGM2 P21980 4/20 0.40
GAA P10253 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL717487 0.86 TGM2 (0.46) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL717491 0.82 MTNR1A (0.38) ALDH1A1CYP2C19NPC1RAB9AMTNR1A
SCHEMBL719566 0.80 TGM2 (0.40) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL721957 0.79 TGM2 (0.51) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL285778 0.76 THRB (0.47) ALDH1A1CYP2C9CYP2C19CYP3A4GAA
SCHEMBL718016 0.74 NPC1 (0.52) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL721004 0.74 NPC1 (0.52) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL285489 0.72 TGM2 (0.46) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL8017839 0.71 MTNR1A (0.63) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL719426 0.71 TGM2 (0.48) ALDH1A1CYP2C9CYP2C19CYP3A4NPC1

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 WO 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ ALDH1A1 3560/4885CYP2C9 1195/4885CYP2C19 1029/4885

“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.