SCHEMBL175299

SCHEMBL175299

O=C(NCc1ccc(O)c(O)c1)NCc1ccc(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 15/20 0.66
ERCC4 Q92889 15/20 0.66
LCK P06239 1/20 0.59
TRPV1 Q8NER1 1/20 0.57
ALPG P10696 1/20 0.55
ARG1 P05089 1/20 0.55
ALPL P05186 1/20 0.54

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
SCHEMBL138689 0.89 MAPT (0.66) ERCC1ERCC4TRPV1ALPL
SCHEMBL107288 0.88 ERCC1 (0.66) ERCC1ERCC4TRPV1ALPGARG1
SCHEMBL108218 0.86 ERCC1 (0.78) ERCC1ERCC4LCKTRPV1ARG1
SCHEMBL8269527 0.84 KDM4E (0.69) ERCC1ERCC4TRPV1ALPGALPL
SCHEMBL107165 0.84 ERCC1 (0.73) ERCC1ERCC4TRPV1
SCHEMBL10067938 0.83 TRPV1 (0.68) TRPV1
SCHEMBL10038329 0.83 TRPV1 (0.68) TRPV1
SCHEMBL107880 0.82 ERCC1 (0.60) ERCC1ERCC4TRPV1
SCHEMBL107237 0.82 ERCC1 (0.81) ERCC1ERCC4TRPV1
SCHEMBL108637 0.82 ERCC1 (0.60) ERCC1ERCC4TRPV1

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-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US claimed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US claimed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US claimed
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-07-24 US claimed
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-07-24 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-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 ERCC1 3561/4885ERCC4 4660/4885LCK 1795/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 ERCC1 2754/4885ERCC4 3932/4885LCK 1680/4885
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants TYR, HAAO, TH ERCC1 2276/4885ERCC4 2029/4885LCK 2171/4885

“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.