SCHEMBL5653431

SCHEMBL5653431

CC(C)C[C@H](N)C(=O)NC1CCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TAOK1 Q7L7X3 2/20 0.62
TAOK3 Q9H2K8 2/20 0.62
USP2 O75604 1/20 0.61
HTT P42858 4/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
TSHR P16473 2/20 0.53
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
EPHX1 P07099 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL29131608 0.86 HTT (0.60) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL29131611 0.86 HTT (0.60) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL29131615 0.84 KMT2A (0.56) ALDH1A1USP2HTTMEN1KMT2A
SCHEMBL29131618 0.84 KMT2A (0.56) ALDH1A1USP2HTTMEN1KMT2A
SCHEMBL12310924 0.84 HTT (0.61) ALDH1A1HTTMEN1KMT2ATAS1R3
SCHEMBL24105898 0.83 HTT (0.63) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL24105900 0.83 HTT (0.63) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL12308334 0.83 HTT (0.63) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL29131632 0.83 OPRK1 (0.59) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL29131630 0.83 OPRK1 (0.59) ALDH1A1TAOK1TAOK3HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 ALDH1A1 4424/4885TAOK1 1/4885TAOK3 2/4885

“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.