SCHEMBL4570718

SCHEMBL4570718

C=C(C)C(=O)OCCOCC(CCCCCCCC)CCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.54
PLA2G2C Q5R387 6/20 0.41
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
DGKA P23743 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6829351 1.00 TSHR (0.61) TSHRTHRBPLA2G2CPRSS1PRSS2
SCHEMBL3988047 1.00 TSHR (0.61) TSHRTHRBPLA2G2CPRSS1PRSS2
SCHEMBL10049282 0.99 TSHR (0.59) TSHRTHRBPLA2G2CPRSS1PRSS2
SCHEMBL1982685 0.88 THRB (0.54) TSHRTHRBPLA2G2CPRSS1PRSS2
SCHEMBL26920606 0.87 THRB (0.53) TSHRTHRBPLA2G2CPRSS1PRSS2
SCHEMBL22435238 0.87 TSHR (0.59) TSHRTHRBPLA2G2CCYP3A4
SCHEMBL985292 0.87 THRB (0.53) TSHRTHRBPLA2G2CPRSS1PRSS2
SCHEMBL21853803 0.86 TSHR (0.61) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL17941650 0.86 TSHR (0.61) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL21853810 0.86 TSHR (0.61) TSHRTHRBPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8505631-B2 Compositions having HASE rheology modifiers RHODIA OPERATIONS (FR) 2013-08-13 US disclosed
US-8501983-B2 Composition having HASE rheology modifiers RHODIA OPERATIONS (FR) 2013-08-06 US disclosed
US-8501860-B2 Compositions having HASE rheology modifiers RHODIA OPERATIONS (FR) 2013-08-06 US disclosed
US-20120123149-A1 Composition having hase rheology modifiers RHODIA OPERATIONS (FR) 2012-05-17 US disclosed
US-20120121523-A1 Compositions having hase rheology modifiers RHODIA OPERATIONS (FR) 2012-05-17 US disclosed
US-20120116005-A1 Compositions having hase rheology modifiers RHODIA OPERATIONS (FR) 2012-05-10 US disclosed
US-8071674-B2 Compositions having HASE rheology modifiers RHODIA OPERATIONS (FR) 2011-12-06 US disclosed
US-20100273683-A1 Compositions having hase rheology modifiers SPECIALTY OPERATIONS FRANCE (FR) 2010-10-28 US disclosed
US-7772421-B2 Compositions having HASE rheology modifiers RHODIA INC. (US) 2010-08-10 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 (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-20100273683-A1 Compositions having hase rheology modifiers WEE2, CCNE2, HPSE TSHR 4655/4885THRB 4602/4885PLA2G2C 442/4885
US-20120123149-A1 Composition having hase rheology modifiers WEE2, CCNE2, WEE1 TSHR 4688/4885THRB 4595/4885PLA2G2C 296/4885
US-20120121523-A1 Compositions having hase rheology modifiers WEE2, CCNE2, HPSE TSHR 4655/4885THRB 4602/4885PLA2G2C 442/4885

“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.