SCHEMBL7565776

SCHEMBL7565776

CC(C)c1cccc(C(C)C)c1C[C]=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
GABRB2 P47870 2/20 0.43
LMNA P02545 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
FAAH O00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 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
SCHEMBL11831250 0.78 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL7116908 0.77 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5973140 0.77 GABRA1 (0.45) GABRA1GABRB2GABRB1
SCHEMBL7124022 0.76 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL19640310 0.75 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL15122382 0.74 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL18469082 0.72 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL3844252 0.71 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5257484 0.70 CYP1A2 (0.38) CA1CA2CYP1A2CYP3A4TSHR
SCHEMBL9162164 0.70 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2LMNA

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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders CORNICELLI JOSEPH ANTHONY (US) 2002-12-05 US disclosed
EP-1236468-A1 Sulfonylaminocarbonyl derivatives for the treatment of nuclear factor-kappa B mediated diseases and disorders WARNER-LAMBERT COMPANY (US) 2002-09-04 EP 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-20020183384-A1 Methods of treating nuclear factor-kappa B mediated diseases and disorders NFKBIA, IKBKB, RELA GABRA1 3433/4885GABRG2 3050/4885GABRB3 1588/4885

“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.