SCHEMBL17898508

SCHEMBL17898508

CC(C)N1CC(=O)CC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
EGFR P00533 1/20 0.36
PTK2 Q05397 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 2/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL11670185 0.74
SCHEMBL1698543 0.70 ALDH1A1 (0.39) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL14959575 0.70 SMN1; SMN2 (0.37) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL12706200 0.70 TSHR (0.36) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL13857354 0.70 TOP2A (0.73) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL12534603 0.70 ALDH1A1 (0.36) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL10111442 0.69 CHRNA7 (0.35) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL14488697 0.69 TOP2A (0.35) ALDH1A1MAPTTDP1TOP2ATOP2B
SCHEMBL11776413 0.69 ALDH1A1 (0.38) ALDH1A1MAPTTDP1TOP2ATOP2B
Hydrochloric Acid SCHEMBL3741338 0.69 ALDH1A1 (0.38) ALDH1A1MAPTTDP1TOP2ATOP2B

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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 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-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 ALDH1A1 3255/4885MAPT 4374/4885TDP1 3452/4885

“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.