SCHEMBL13397665

SCHEMBL13397665

CN(C(=O)OCc1ccccc1)C(C)(C)C(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
ABCB1 P08183 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
SYK P43405 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
SCHEMBL1285759 0.88 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL13300890 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL23944461 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL25901621 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL13401595 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL7694380 0.80 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL22780788 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL22326382 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL8615968 0.78 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL25178599 0.78 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906887-B2 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-20100105671-A1 C7-fluoro substituted tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. 2010-04-29 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 (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-20100105671-A1 C7-fluoro substituted tetracycline compounds F7, TUBA1C, TUBA4A ALDH1A1 1411/4885MAPT 422/4885HPGD 4789/4885

“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.