SCHEMBL3497182

SCHEMBL3497182

O=C(O)C1C2CCC(O2)C1C(=O)NCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 5/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 3/20 0.46
TFPI2 P48307 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GMNN O75496 1/20 0.46
PMP22 Q01453 1/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PPP1CA P62136 1/20 0.43

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
SCHEMBL13311403 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1TDP1TSHR
SCHEMBL13311589 0.85 LMNA (0.46) ALDH1A1LMNAMAPK1TSHRTFPI2
SCHEMBL13311369 0.75 LMNA (0.57) ALDH1A1LMNAMAPK1TSHRTFPI2
SCHEMBL17384921 0.75 LMNA (0.57) ALDH1A1LMNAMAPK1TSHRTFPI2
SCHEMBL3494928 0.75 LMNA (0.57) ALDH1A1LMNAMAPK1TSHRTFPI2
SCHEMBL19986242 0.74 ALDH1A1 (0.49) ALDH1A1TDP1TSHRKDM4EL3MBTL1
SCHEMBL19971687 0.74 ALDH1A1 (0.46) ALDH1A1LMNATDP1TSHRL3MBTL1
SCHEMBL19971685 0.74 ALDH1A1 (0.46) ALDH1A1LMNATDP1TSHRL3MBTL1
SCHEMBL19971686 0.74 ALDH1A1 (0.46) ALDH1A1LMNATDP1TSHRL3MBTL1
SCHEMBL30522606 0.74 TDP1 (0.75) ALDH1A1LMNATDP1TSHRKDM4E

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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 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-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C ALDH1A1 3457/4885LMNA 4332/4885MAPK1 812/4885

“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.