SCHEMBL17814871

SCHEMBL17814871

CC(=O)Oc1ccc(CCN2C(=O)C=CC2=O)cc1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.65
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
TRPV1 Q8NER1 1/20 0.46
MGLL Q99685 1/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 1/20 0.44
CCR5 P51681 4/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
CFD P00746 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
CYP4F2 P78329 1/20 0.42

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
SCHEMBL17898045 0.94 HSP90AA1 (0.58) HSP90AA1GSK3AGSK3BTRPV1MGLL
SCHEMBL17898046 0.83 SMN1; SMN2 (0.49) HSP90AA1TRPV1PTGS1CCR5ALDH1A1
SCHEMBL178977 0.81 TRPV1 (0.57) TRPV1PTGS1CCR5ALDH1A1KDM4E
SCHEMBL6941838 0.81 GSK3A (0.67) HSP90AA1GSK3AGSK3BMGLLPTGS2
SCHEMBL17889166 0.80 TRPV1 (0.52) HSP90AA1TRPV1PTGS1PTGS2CCR5
SCHEMBL14678150 0.79 HSP90AA1 (1.00) HSP90AA1GSK3AGSK3BALDH1A1HTT
SCHEMBL178978 0.78 TRPV1 (0.58) TRPV1PTGS1CCR5ALDH1A1KDM4E
SCHEMBL17253827 0.77 CYP4F2 (0.54) TRPV1PTGS1PTGS2CCR5ALDH1A1
SCHEMBL9588895 0.77 TRPV1 (0.60) TRPV1PTGS1CCR5ALDH1A1KDM4E
SCHEMBL10483834 0.75 KDM4E (0.56) TRPV1PTGS1CCR5ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540462-B2 Catechol-rich polymers from N-substituted maleimides MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-10 US disclosed
US-9540462-B2 Catechol-rich polymers from N-substituted maleimides MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-10 US disclosed
US-20160194415-A1 CATECHOL-RICH POLYMERS FROM N-SUBSTITUTED MALEIMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-07-07 US disclosed
US-20160194415-A1 CATECHOL-RICH POLYMERS FROM N-SUBSTITUTED MALEIMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-07-07 US disclosed
WO-2016090355-A2 CATECHOL-RICH POLYMERS FROM N-SUBSTITUTED MALEIMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-09 WO 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 (1 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-20160194415-A1 CATECHOL-RICH POLYMERS FROM N-SUBSTITUTED MALEIMIDES VIM, COMT, PNMT HSP90AA1 1236/4885GSK3A 3276/4885GSK3B 3351/4885

“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.