SCHEMBL2600302

SCHEMBL2600302

C=C(C)C(=O)OCCOC(=O)c1ccccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.47
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL15623966 0.88 TSHR (0.50) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL129437 0.86 TSHR (0.62) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL28996621 0.85 TSHR (0.61) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL1398208 0.82 TSHR (0.57) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL15713250 0.82 TSHR (0.53) TSHRALDH1A1TDP1L3MBTL1CYP3A4
Methacrylic Acid SCHEMBL28781342 0.82 TSHR (0.57) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL10716983 0.81 ALDH1A1 (0.62) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL38662514 0.81 ALDH1A1 (0.62) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL4783599 0.81 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3787597 0.81 ALDH1A1 (0.72) TSHRALDH1A1TDP1L3MBTL1CYP3A4

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-20120276503-A1 CURABLE DENTAL COMPOSITIONS AND ARTICLES COMPRISING POLYMERIZABLE IONIC LIQUIDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-11-01 US disclosed
US-20120101184-A1 COMPOSITIONS AND ARTICLES COMPRISING POLYMERIZABLE IONIC LIQUID MIXTURE, AND METHODS OF CURING 3M INNOVATIVE PROPERTIES COMPANY 2012-04-26 US disclosed
US-7495038-B2 Materials leading to improved dental composites and dental composites made therefrom E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-24 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-20120101184-A1 COMPOSITIONS AND ARTICLES COMPRISING POLYMERIZABLE IONIC LIQUID MIXTURE, AND METHODS OF CURING ELOVL3, ELOVL6, ELOVL1 TSHR 4730/4885ALDH1A1 3927/4885TDP1 1366/4885
US-20120276503-A1 CURABLE DENTAL COMPOSITIONS AND ARTICLES COMPRISING POLYMERIZABLE IONIC LIQUIDS POLL, ELL, ESD TSHR 4806/4885ALDH1A1 416/4885TDP1 826/4885

“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.