SCHEMBL17192079

SCHEMBL17192079

CC(C)c1cc(O)c(O)[n+](C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 1/20 0.41
TRPA1 O75762 1/20 0.41
CACNA1C Q13936 1/20 0.41
TYR P14679 3/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
RNASEH1 O60930 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MDM4 O15151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL19420602 0.73 UGT2B7 (0.35) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL19426149 0.72 GABRA1 (0.38) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL19420604 0.70 RNASEH1 (0.41) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL19420589 0.70 RNASEH1 (0.41) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL17192078 0.66 RNASEH1 (0.38) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL17192083 0.66 RNASEH1 (0.38) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL6346880 0.64 GABRA1 (0.73) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL17192076 0.64
SCHEMBL1494320 0.62 TRPA1 (0.56) PTGS1GABRA1GABRB2TRPA1CACNA1C
SCHEMBL5304091 0.62 FABP3 (0.32) PTGS1GABRA1GABRB2TRPA1CACNA1C

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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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 (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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL PTGS1 2702/4885GABRA1 3836/4885GABRB2 2708/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 PTGS1 2975/4885GABRA1 3713/4885GABRB2 2610/4885

“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.