SCHEMBL108594

SCHEMBL108594

Oc1ccc(CNC2CCCC[C@H]2NCc2ccc(O)c(O)c2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.58
ERCC4 Q92889 3/20 0.58
ARG1 P05089 1/20 0.49
SSTR3 P32745 9/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
PLAA Q9Y263 1/20 0.42
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
TRPA1 O75762 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
SCHEMBL8231045 1.00 ERCC1 (0.58) ERCC1ERCC4ARG1SSTR3CA1
SCHEMBL139478 1.00 ERCC1 (0.58) ERCC1ERCC4ARG1SSTR3CA1
SCHEMBL8346672 0.84 HRH3 (0.61) ERCC1ERCC4ARG1
SCHEMBL13868598 0.81 ERCC1 (0.53) ERCC1ERCC4ARG1CA1CA2
SCHEMBL109025 0.81 ERCC1 (0.53) ERCC1ERCC4ARG1CA1CA2
SCHEMBL8318520 0.81 KDM4E (0.53) SSTR3ALOX15
SCHEMBL8235938 0.75 KDM1A (0.59) SSTR3
SCHEMBL24820100 0.72 LTA4H (0.44) ERCC1ERCC4SSTR3
SCHEMBL107957 0.72 ARG1 (0.63) ERCC1ERCC4ARG1CA1CA2
SCHEMBL3899511 0.72 KDM1A (0.56) SSTR3

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 6 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 disclosed
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US disclosed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US disclosed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US disclosed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 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-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 ERCC1 3561/4885ERCC4 4660/4885ARG1 830/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 ERCC1 2754/4885ERCC4 3932/4885ARG1 521/4885

“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.