SCHEMBL17192077

SCHEMBL17192077

CC(C)c1ccc(O)c(O)[n+]1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
RNASEH1 O60930 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
SCHEMBL19420601 0.75 RNASEH1 (0.33) RNASEH1
SCHEMBL19420581 0.74 BAD (0.38) HIF1ARNASEH1
SCHEMBL19420593 0.71 UGT2B7 (0.32)
SCHEMBL19426081 0.71 TSHR (0.31) TYRALDH1A1GAAALOX12HTT
SCHEMBL19420587 0.61 TRPA1 (0.42) TYRALDH1A1GAAALOX12HTT
SCHEMBL30360391 0.59 TYR (0.44) TYRALDH1A1GAAALOX12HTT
SCHEMBL1760433 0.59 TYR (0.44) TYRALDH1A1GAAALOX12HTT
SCHEMBL17192076 0.56
SCHEMBL13773184 0.54 RNASEH1 (0.45) TYRALDH1A1GAAALOX12HTT
SCHEMBL172232 0.53 TRPA1 (0.67) TYRALDH1A1GAAALOX12HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174053-B2 2 substituted cephem compounds GLAXO GROUP LIMITED (GB) 2019-01-08 US disclosed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
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 (3 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 TYR 734/4885ALDH1A1 1437/4885GAA 31/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 TYR 318/4885ALDH1A1 3320/4885GAA 815/4885
US-10174053-B2 2 substituted cephem compounds CEP170, CES2, CMBL TYR 734/4885ALDH1A1 1437/4885GAA 31/4885

“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.