SCHEMBL139183

SCHEMBL139183

CN(C)CCN(Cc1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP3A4 P08684 3/20 0.50
NFKB1 P19838 3/20 0.50
CYP2D6 P10635 3/20 0.50
DRD2 P14416 3/20 0.50
ADRA1A P35348 3/20 0.50
DRD3 P35462 3/20 0.50
TSHR P16473 2/20 0.50
DRD1 P21728 2/20 0.50
DRD4 P21917 2/20 0.50
DRD5 P21918 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1B P35368 2/20 0.50
KDM4E B2RXH2 5/20 0.49
PMP22 Q01453 2/20 0.49
TRPA1 O75762 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47

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
SCHEMBL28945714 0.82 TRPA1 (0.58) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL108110 0.82 CA1 (0.61) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL107974 0.79 TRPA1 (0.54) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL67764 0.79 HIF1A (0.65) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL30141595 0.79 HIF1A (0.65) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
Bromide SCHEMBL20854749 0.77 KDM4E (0.66) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL12980193 0.75 TRPA1 (0.54) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL13886168 0.74 DRD1 (0.59) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL8052751 0.74 KDM4E (0.52) HIF1AHSD17B10CYP3A4NFKB1CYP2D6
SCHEMBL14067081 0.73 TRPA1 (0.52) HIF1AHSD17B10CYP3A4NFKB1CYP2D6

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 2 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

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-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 HIF1A 571/4885HSD17B10 368/4885CYP3A4 985/4885

“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.