SCHEMBL12432103

SCHEMBL12432103

CCCCCCOc1ccc(C)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PRSS1 P07477 4/20 0.49

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
SCHEMBL5854291 1.00 ALDH1A1 (0.53) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL8385763 0.93 CYP1A2 (0.59) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL2426952 0.87 ALDH1A1 (0.68) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL28007211 0.86 CYP1A2 (0.51) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL12952822 0.85 MAPT (0.49) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL23014013 0.84 MAPT (0.74) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL1553881 0.84 MAPT (0.74) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL15043142 0.84 MAPT (0.74) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL139064 0.84 MAPT (0.74) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL137994 0.84 MAPT (0.74) ALDH1A1GAAMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 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 (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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 ALDH1A1 2442/4885GAA 1475/4885MAPT 3288/4885

“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.