SCHEMBL16142121

SCHEMBL16142121

C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)/C=C\I

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.58
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL238953 0.89 THRB (0.70) THRBALDH1A1TP53HIF1ACYP3A4
Alcohol SCHEMBL7030010 0.85 ALDH1A1 (0.68) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14130577 0.85 ALDH1A1 (0.67) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL28543752 0.85 THRB (0.70) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL16142139 0.85 MAPK1 (0.54) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL9626547 0.85 THRB (0.57) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL39816 0.84 THRB (0.74) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL17101615 0.84 THRB (0.64) THRBALDH1A1TP53HIF1ACYP3A4
Ethylene Glycol SCHEMBL10426882 0.84 ALDH1A1 (0.66) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL18580288 0.84 THRB (0.64) THRBALDH1A1TP53HIF1ACYP3A4

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-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2017-05-25 US disclosed
US-20150272900-A1 Layer-By-Layer Approach to Co-Deliver DNA and siRNA via AuNPs: A Potential Platform for Modifying Release Kinetics THE JOHNS HOPKINS UNIVERSITY 2015-10-01 US disclosed
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-10-02 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-20150272900-A1 Layer-By-Layer Approach to Co-Deliver DNA and siRNA via AuNPs: A Potential Platform for Modifying Release Kinetics DNMT3L, DBNL, HNRNPL THRB 3106/4885ALDH1A1 2087/4885TP53 892/4885
US-20170143639-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 THRB 2303/4885ALDH1A1 883/4885TP53 1592/4885
US-20140294909-A1 NANOCOMPOSITES OF GOLD AND POLYMERS HNRNPL, HNRNPLL, ACSL3 THRB 2303/4885ALDH1A1 883/4885TP53 1592/4885

“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.