SCHEMBL4935053

SCHEMBL4935053

Cn1c(CCC(C(=O)NOCc2ccccc2)N(CC2CCCCC2)C(=O)OC(C)(C)C)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
REN P00797 1/20 0.35
TSHR P16473 2/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4935045 1.00 ALDH1A1 (0.40) ALDH1A1HDAC6MAPTOPRM1OPRD1
SCHEMBL4930537 0.92 GAA (0.39) MAPTOPRM1OPRD1OPRK1OGFRL1
SCHEMBL4930352 0.89 HDAC6 (0.41) ALDH1A1HDAC6MAPTRECQLLMNA
SCHEMBL4930360 0.89 HDAC6 (0.41) ALDH1A1HDAC6MAPTRECQLLMNA
SCHEMBL4933280 0.88 HDAC6 (0.45) ALDH1A1HDAC6MAPTRECQLLMNA
SCHEMBL4933285 0.88 HDAC6 (0.45) ALDH1A1HDAC6MAPTRECQLLMNA
SCHEMBL4935326 0.86 HDAC6 (0.42) ALDH1A1HDAC6MAPTRECQLTSHR
SCHEMBL4935333 0.86 HDAC6 (0.42) ALDH1A1HDAC6MAPTRECQLTSHR
SCHEMBL4933259 0.84 HDAC6 (0.40) ALDH1A1HDAC6MAPTRECQLTSHR
SCHEMBL4933262 0.84 HDAC6 (0.40) ALDH1A1HDAC6MAPTRECQLTSHR

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 ALDH1A1 1829/4885HDAC6 10/4885MAPT 2275/4885

“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.