SCHEMBL21145862

SCHEMBL21145862

CC(C)c1ccc(CF)c(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.38
LMNA P02545 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALOX12 P18054 2/20 0.35
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HTR1D P28221 2/20 0.33
RNASEH1 O60930 1/20 0.33
TYR P14679 2/20 0.32
HTR1B P28222 1/20 0.32
KIF11 P52732 1/20 0.32
IDO1 P14902 2/20 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
SCHEMBL5050256 0.83 FABP3 (0.41) FABP3FABP4FABP5LMNAGABRA1
SCHEMBL22356520 0.79 FABP3 (0.38) FABP3FABP4FABP5LMNAGABRA1
SCHEMBL677272 0.79 FABP3 (0.38) FABP3FABP4FABP5LMNAGABRA1
SCHEMBL21146699 0.79 LMNA (0.45) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL9686320 0.79 ACE2 (0.42) FABP3FABP4FABP5LMNAGABRA1
SCHEMBL13541185 0.79 LMNA (0.47) LMNATRPA1PTGS1CACNA1CALOX12
SCHEMBL15617288 0.78 LMNA (0.36) LMNATRPA1PTGS1CACNA1CALOX12
SCHEMBL27601762 0.78 IDO1 (0.38) FABP3FABP4FABP5LMNAGABRA1
SCHEMBL7488382 0.76 FABP3 (0.36) FABP3FABP4FABP5LMNAGABRA1
SCHEMBL8750562 0.76 IDO1 (0.37) FABP3FABP4FABP5LMNAGABRA1

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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP FABP3 2962/4885FABP4 3579/4885FABP5 1495/4885

“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.