SCHEMBL921395

SCHEMBL921395

CC(C)Cc1cc[c]c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PTGS2 P35354 5/20 0.32
PTGS1 P23219 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 3/20 0.32
ESR1 P03372 3/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALOX5 P09917 2/20 0.32
NFKB1 P19838 2/20 0.32
HTR2A P28223 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32
ALB P02768 1/20 0.32

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
SCHEMBL2052825 0.86 ALOX15 (0.33) GABRA1GABRB2PTGS2MEN1KMT2A
SCHEMBL27345820 0.83
SCHEMBL15163696 0.82 PLA2G1B (0.35) PTGS2MEN1KMT2APOLBMAPT
SCHEMBL15067851 0.79 GABRA1 (0.42) GABRA1GABRB2PTGS2PTGS1MEN1
SCHEMBL7960367 0.79 HPGD (0.30) HPGD
SCHEMBL677764 0.78 GABRA1 (0.41) GABRA1GABRB2PTGS2PTGS1MEN1
SCHEMBL7469143 0.78 GABRA1 (0.41) GABRA1GABRB2PTGS2PTGS1MEN1
SCHEMBL1663606 0.77 TRPA1 (0.31) TRPA1
SCHEMBL61982 0.77
SCHEMBL6299128 0.76 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102482212-B Carboxamide compounds and they are as the purposes of calpain inhibitor ABBVIE (US) 2015-08-26 CN disclosed
CN-101616908-B Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO KG 2014-09-10 CN disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (2 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 GABRA1 3509/4885GABRB2 4347/4885PTGS2 2624/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 GABRA1 2921/4885GABRB2 3935/4885PTGS2 3582/4885

“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.