SCHEMBL18951998

SCHEMBL18951998

CCC(C)C(O)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.42
TSHR P16473 3/20 0.40
PDE4A P27815 1/20 0.37
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
TRPA1 O75762 1/20 0.31
TOP1 P11387 1/20 0.31

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
SCHEMBL14357523 0.92 LMNA (0.58) LMNAL3MBTL1TDP1KDM4ETSHR
SCHEMBL28074966 0.90 TDP1 (0.60) LMNAL3MBTL1TDP1KDM4ETSHR
SCHEMBL18884929 0.90 TDP1 (0.60) LMNAL3MBTL1TDP1KDM4ETSHR
SCHEMBL28074964 0.90 TDP1 (0.60) LMNAL3MBTL1TDP1KDM4ETSHR
SCHEMBL270330 0.82
SCHEMBL16280836 0.82 TSHR (0.44) TDP1TSHRTRPA1
SCHEMBL13638247 0.82 LMNA (0.59) LMNAL3MBTL1TDP1KDM4ETSHR
SCHEMBL13536696 0.82
SCHEMBL106965 0.82 TSHR (0.44) TDP1TSHRTRPA1
SCHEMBL11923038 0.82 LMNA (0.59) LMNAL3MBTL1TDP1KDM4ETSHR

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-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2018-12-20 US disclosed
WO-2017096450-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY EMS S/A (BR) 2017-06-15 WO 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-20180362456-A1 NEW COMPOUNDS WITH ANTIOXIDANT AND ANTIAGING ACTIVITY GPX1, CAT, GPX4 LMNA 1674/4885L3MBTL1 2608/4885TDP1 800/4885

“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.