SCHEMBL915072

SCHEMBL915072

O=C(O)C(O)C(OC(C(=O)O)C(O)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
TP53 P04637 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4A P27815 1/20 0.35
PGD P52209 2/20 0.34
SRC P12931 1/20 0.33
OR51E2 Q9H255 1/20 0.30
LMNA P02545 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL20839610 0.97 TSHR (0.50) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL11797114 0.86 TSHR (0.45) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL1707892 0.80 TDP1 (0.50) TSHRPGDLMNA
SCHEMBL11767716 0.80 SLC1A3 (0.41) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL1068276 0.79 TSHR (0.50) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL7591556 0.78 TSHR (0.43) TSHRSLC1A3SLC1A2SLC1A1CYP2C9
SCHEMBL3680538 0.77 TSHR (0.47) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL7291825 0.77 SLC1A3 (0.54) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL7290471 0.77 SLC1A3 (0.54) TSHRTP53SLC1A3SLC1A2SLC1A1
SCHEMBL7516079 0.77 TSHR (0.47) TSHRTP53SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935493-A1 CURABLE SILSESQUIOXANE POLYMERS, COMPOSITIONS, ARTICLES, AND METHODS 3M Innovative Properties Company (US) 2015-10-28 EP disclosed
WO-2014099699-A1 CURABLE SILSESQUIOXANE POLYMERS, COMPOSITIONS, ARTICLES, AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-06-26 WO disclosed
US-8597419-B2 Preservative compositions for wood and like materials GENICS INC. (CA) 2013-12-03 US disclosed
US-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO CORNELL UNIVERSITY (US) 2011-11-10 US disclosed
US-20110135829-A1 ESTER-BASED CONCRETE SURFACE RETARDERS VERIFI LLC 2011-06-09 US disclosed
US-20110021854-A1 METHOD OF CONVERTING ETHYLBENZENE AND PROCESS FOR PRODUCING P-XYLENE TORAY INDUSTRIES, INC. (JP) 2011-01-27 US disclosed
US-20100062166-A1 PRESERVATIVE COMPOSITIONS FOR WOOD AND LIKE MATERIALS GENICS INC. (CA) 2010-03-11 US disclosed
CN-1531584-A Fuel oil additive and fuel oil product containing same 呼世滨 2004-09-22 CN disclosed
US-5028415-A Poly/epoxysuccinic Acid/ THE PROCTER & GAMBLE COMPANY (US) 1991-07-02 US disclosed
US-4846650-A SUCCINIC ACID OR SALT DERIVATIVE AS ADDUCT OR POLYETHER THE PROCTER & GAMBLE COMPANY (US) 1989-07-11 US disclosed
US-4798675-A Corrosion inhibiting compositions containing carboxylated phosphonic acids and sequestrants THE MOGUL CORPORATION (US) 1989-01-17 US disclosed
US-4654159-A SEQUESTERING, LAUNDERING, EPOXYSUCCINATE, CALCIUM COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1987-03-31 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-20110275708-A1 POLYCYCLIC COMPOUNDS AND METHODS RELATED THERETO PKD1, THPO, CCNO TSHR 4788/4885TP53 60/4885SLC1A3 1765/4885
US-20110021854-A1 METHOD OF CONVERTING ETHYLBENZENE AND PROCESS FOR PRODUCING P-XYLENE MLLT1, SMARCC2, SMARCC1 TSHR 4641/4885TP53 1215/4885SLC1A3 4793/4885

“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.