SCHEMBL17192078

SCHEMBL17192078

CC(C)c1ccc2c(O)c(O)[n+](C(C)C)cc2c1

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
KIF11 P52732 1/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
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

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
SCHEMBL17192083 0.87 RNASEH1 (0.38) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL19420592 0.71 RNASEH1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL9862278 0.69 GABRA1 (0.42) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL19426001 0.69 RNASEH1 (0.39) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL14566765 0.68 RNASEH1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL9862272 0.68 RNASEH1 (0.44) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL19420585 0.68 RNASEH1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL17192079 0.66 PTGS1 (0.41) RNASEH1PTGS1TRPA1CACNA1CALDH1A1
SCHEMBL17192074 0.66 GABRA1 (0.47) PTGS1ALDH1A1ALOX12HTTHIF1A
SCHEMBL17192072 0.65 GABRA1 (0.46) PTGS1ALDH1A1ALOX12HIF1ACDK1

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.