SCHEMBL3324677

SCHEMBL3324677

O=C(CCc1ccccc1)NCCc1ccc(O)c(O)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.84
ERCC1 P07992 2/20 0.76
ERCC4 Q92889 2/20 0.76
MAPT P10636 4/20 0.74
GAA P10253 3/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
HSD17B10 Q99714 2/20 0.63
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
HSD17B2 P37059 1/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
PTGS1 P23219 1/20 0.59
BLM P54132 1/20 0.59
HIF1A Q16665 1/20 0.59
ADRB2 P07550 1/20 0.58

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
SCHEMBL107219 0.92 MAPT (0.71) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL26393857 0.92 TRPV1 (1.00) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL31363209 0.90 TRPV1 (0.68) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL2378518 0.90 TRPV1 (0.68) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL13984316 0.89 TRPV1 (0.67) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL109158 0.88 MAPT (0.73) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL12246697 0.87 MAPT (0.65) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL9444668 0.87 ERCC1 (0.89) TRPV1ERCC1ERCC4MAPTGAA
SCHEMBL2186352 0.86 HDAC2 (0.72) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL7274719 0.86 TRPV1 (0.79) TRPV1ERCC1ERCC4MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129436-A1 SUBTANCES FOR THE PROTECTION OF CELLS AND/OR TISSUES LOSEL RALF 2010-05-27 US disclosed
US-20080167277-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, L.L.C. 2008-07-10 US disclosed
US-20080167277-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN, L.L.C. 2008-07-10 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-20080167277-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS CYP24A1, VDR, CYP2R1 TRPV1 2766/4885ERCC1 979/4885ERCC4 635/4885
US-20100129436-A1 SUBTANCES FOR THE PROTECTION OF CELLS AND/OR TISSUES CTSA, BCL2, BAX TRPV1 3411/4885ERCC1 205/4885ERCC4 210/4885

“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.