SCHEMBL1434698

SCHEMBL1434698

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR1H4 Q96RI1 2/20 0.37
PDK2 Q15119 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
LMNA P02545 3/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL29263958 0.86 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL273494 0.84 ALOX15 (0.47) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL29678146 0.84 ALOX15 (0.47) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL373525 0.83 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28774188 0.82 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30706305 0.82 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28819980 0.82 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27324933 0.82 ALOX15 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27764801 0.82 ALOX15 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8055375 0.82 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411084-B1 ANTIBACTERIAL COMPOSITION FOR MEDICAL TOOL ADEKA CORP (JP) 2011-03-30 EP disclosed
US-7405252-B2 Vinyl chloride resin composition ADEKA CORPORATION (JP) 2008-07-29 US disclosed
US-7279509-B2 Antibacterial composition for medical tool ADEKA CORPORATION (JP) 2007-10-09 US disclosed
US-20070100049-A1 Vinyl Chlodride Resin Composition ADEKA CORPORATION (JP) 2007-05-03 US disclosed
EP-1693414-A1 VINYL CHLORIDE RESIN COMPOSITION Asahi Denka Co., Ltd. (JP) 2006-08-23 EP disclosed
US-20040166163-A1 Antibacterial composition for medical tool ADEKA CORPORATION (JP) 2004-08-26 US disclosed
EP-1411084-A1 ANTIBACTERIAL COMPOSITION FOR MEDICAL TOOL ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 2004-04-21 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-20040166163-A1 Antibacterial composition for medical tool NLRP3, NLRP1, MRPL37 CA2 3794/4885GABRA1 1982/4885GABRB2 3521/4885

“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.