SCHEMBL7124077

SCHEMBL7124077

CC(C)c1cc(C(C)C)c(-c2cccc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2S)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
GABRA1 P14867 3/20 0.38
GABRB2 P47870 2/20 0.38
FABP4 P15090 3/20 0.37
FABP3 P05413 2/20 0.37
FABP5 Q01469 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL28438073 0.85 GABRA1 (0.38) ROCK2GABRA1GABRB2FABP4FABP3
SCHEMBL3181087 0.84 GABRA1 (0.44) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL30317598 0.81 ROCK2 (0.39) ROCK2GABRA1GABRB2FABP4FABP3
SCHEMBL16050488 0.81 GABRA1 (0.52) ROCK2GABRA1GABRB2FABP4FABP3
SCHEMBL16050486 0.81 FABP3 (0.41) ROCK2GABRA1GABRB2FABP4FABP3
SCHEMBL28126975 0.79 GABRA1 (0.50) ROCK2GABRA1GABRB2FABP4FABP3
Lithium Ion SCHEMBL17203679 0.79 ROCK2 (0.38) ROCK2GABRA1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL21331878 0.79 ROCK2 (0.38) ROCK2GABRA1GABRB2FABP4FABP3
SCHEMBL14931037 0.78 HDAC4 (0.39) ROCK2GABRA1GABRB2FABP4FABP3
SCHEMBL28926436 0.77 LMNA (0.44) ROCK2GABRA1GABRB2FABP4FABP3

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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US claimed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 ROCK2 2727/4885GABRA1 3872/4885GABRB2 4443/4885

“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.