SCHEMBL17192083

SCHEMBL17192083

CC(C)c1ccc2c[n+](C(C)C)c(O)c(O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.38
PTGS1 P23219 2/20 0.37
TRPA1 O75762 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
HTT P42858 2/20 0.36
UGT2B7 P16662 1/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
PTGS2 P35354 1/20 0.35
TYR P14679 3/20 0.33
EIF4A3 P38919 1/20 0.33
CASR P41180 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MDM4 O15151 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL17192078 0.87 RNASEH1 (0.38) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL19426001 0.82 RNASEH1 (0.39) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL19420585 0.71 RNASEH1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL17192060 0.71 CDC42 (0.37) RNASEH1
SCHEMBL19420684 0.69 CDC42 (0.38) RNASEH1HTTLMNA
SCHEMBL19420592 0.68 RNASEH1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL17192079 0.66 PTGS1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL11556630 0.66 LDHA (0.54) RNASEH1ALDH1A1GAAEIF4A3KDM4E
SCHEMBL17192074 0.66 GABRA1 (0.47) PTGS1ALDH1A1ALOX12HTTHIF1A
SCHEMBL17192072 0.65 GABRA1 (0.46) PTGS1ALDH1A1ALOX12HIF1ACA1

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 RNASEH1 3539/4885PTGS1 2702/4885TRPA1 3612/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 RNASEH1 3773/4885PTGS1 2975/4885TRPA1 3156/4885

“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.