SCHEMBL12433115

SCHEMBL12433115

CCCCCCOc1ccc(C)cc1C#N

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HPGD P15428 1/20 0.66
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AR P10275 1/20 0.47

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
SCHEMBL14228267 0.94 ALDH1A1 (0.57) ALDH1A1HPGDAR
SCHEMBL12180531 0.89 ALDH1A1 (0.51) ALDH1A1HPGDGAAMAPTAR
SCHEMBL14228412 0.84 ALDH1A1 (0.50) ALDH1A1HPGDGAAMAPTTHRB
SCHEMBL28035088 0.83 ALDH1A1 (0.63) ALDH1A1HPGDAR
SCHEMBL7608578 0.83 ALDH1A1 (0.63) ALDH1A1HPGDAR
SCHEMBL3715087 0.83 ALDH1A1 (0.63) ALDH1A1HPGDAR
SCHEMBL28425205 0.83 ALDH1A1 (0.63) ALDH1A1HPGDAR
SCHEMBL8448469 0.83 ALDH1A1 (0.63) ALDH1A1HPGDAR
SCHEMBL2465179 0.83 ALDH1A1 (0.64) ALDH1A1HPGDNPSR1AR
SCHEMBL28051296 0.83 ALDH1A1 (0.64) ALDH1A1HPGDGAAMAPT

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
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-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 2442/4885HPGD 1808/4885GAA 1475/4885

“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.