SCHEMBL714549

SCHEMBL714549

NNC(=O)[C@H](O)[C@@H](O)C(=O)NN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 1.00
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
THPO P40225 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
CTSD P07339 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
P2RX7 Q99572 1/20 0.31

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
SCHEMBL218910 1.00 HIF1A (1.00) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL20404646 0.88 HIF1A (0.78) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL11228168 0.88 HIF1A (0.78) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL18237282 0.88 HIF1A (0.78) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL16569851 0.87 HIF1A (0.77) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL7645290 0.87 HIF1A (0.77) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL11059304 0.87 HIF1A (0.77) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL12703862 0.86 HIF1A (0.74) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL6928168 0.84 HIF1A (0.70) HIF1ATSHRCYP1A2NFKB1MAOA
SCHEMBL6580898 0.79 HIF1A (0.65) HIF1ATSHRCYP1A2NFKB1MAOA

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-8124578-B2 Use of dynamic mixtures for a controlled release of fragrances FIRMENICH SA (CH) 2012-02-28 US disclosed
EP-1776334-B1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES FIRMENICH & CIE (CH) 2009-10-14 EP disclosed
US-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES UNIVERSITE LOUIS PASTEUR (FR) 2007-06-21 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 (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-20070141011-A1 USE OF DYNAMIC MIXTURES FOR A CONTROLLED RELEASE OF FRAGRANCES TRPA1, HCN1, HCN4 HIF1A 3356/4885TSHR 3891/4885CYP1A2 465/4885

“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.