SCHEMBL24946110

SCHEMBL24946110

CC(C)c1ccc(F)c(CCC(C)c2ccc(F)c(F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HTR1D P28221 2/20 0.34
MME P08473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
CACNA1G O43497 3/20 0.30
CACNA1H O95180 3/20 0.30
CACNA1I Q9P0X4 3/20 0.30
HTR1B P28222 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 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
SCHEMBL24846696 0.83 PDPK1 (0.37) PDPK1CES2CES1HTR1DMME
SCHEMBL765949 0.83 HTR1D (0.37) HTR1DALDH1A1LMNAHTTHTR1B
SCHEMBL84476 0.78 LMNA (0.44) PDPK1CES2CES1MMEALDH1A1
SCHEMBL21508221 0.78 HTR1D (0.38) HTR1DALDH1A1LMNAHTTHTR1B
SCHEMBL18927431 0.75 PDPK1 (0.40) PDPK1CES2CES1MMEALDH1A1
SCHEMBL25027740 0.75 LMNA (0.34) PDPK1MAPTLMNAL3MBTL1TP53
SCHEMBL19243503 0.75 S1PR3 (0.38) ALDH1A1
SCHEMBL21513936 0.73 HTR1D (0.42) HTR1DALDH1A1HTT
SCHEMBL10289693 0.73 LMNA (0.38) HTR1DALDH1A1LMNAHTTHTR1B
SCHEMBL18929486 0.73 HSP90AA1 (0.38) HTR1DALDH1A1LMNAHTTTRPA1

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-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 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-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP PDPK1 2915/4885CES2 2415/4885CES1 393/4885

“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.