SCHEMBL7035699

SCHEMBL7035699

[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])N(C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2370574 0.92 ALDH1A1 (0.44) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL7034814 0.80 HDAC1 (0.52) ALDH1A1HPGDCYP3A4
SCHEMBL316882 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL7367495 0.78 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL31474078 0.78 ALDH1A1 (0.50) ALDH1A1MAPTHPGDTDP1SLC6A2
Hydrochloric Acid SCHEMBL6444517 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL10107202 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL13687204 0.77 CHRNB2 (0.61) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL164180 0.76 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTDP1SLC6A2
SCHEMBL7465320 0.75 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1SLC6A2

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-8575361-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-11-05 US disclosed
US-8513434-B2 Tetrahydronaphthalene derivatives CONCERT PHARMACEUTICALS INC. (US) 2013-08-20 US disclosed
US-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-05-17 US disclosed
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2011-09-29 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-20120122944-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G ALDH1A1 1369/4885MAPT 461/4885HPGD 976/4885
US-20110237635-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G ALDH1A1 1369/4885MAPT 461/4885HPGD 976/4885

“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.