SCHEMBL323853

SCHEMBL323853

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

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TP53 P04637 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
SCHEMBL11518740 0.76 HCAR2 (0.44) TSHRTP53
SCHEMBL11669686 0.76 TP53 (0.43) TSHRTP53
SCHEMBL19327223 0.76 TP53 (0.50) TSHRTP53
SCHEMBL25187138 0.74 TP53 (0.48) TSHRTP53
SCHEMBL3838073 0.74 TP53 (0.41) TSHRTP53
SCHEMBL8201298 0.69 ALDH1A1 (0.33) TSHRTP53
SCHEMBL7778414 0.69 MAPT (0.42) TSHRTP53
SCHEMBL6671784 0.69
SCHEMBL19742922 0.67 TSHR (0.54) TSHRTP53
SCHEMBL15060 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170370954-A1 Biomarkers for Fatty Liver Disease and Methods Using the Same METABOLON, INC. 2017-12-28 US disclosed
WO-2011137218-A1 CASSIA DERIVATIVES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-11-03 WO disclosed
US-8044156-B2 Polymers can swell upon both acidification and alkylation; thickeners, emulsifiers, stabilizers, suspending agents, film formers, conditioners, health care; rheology; 2-(N,N-dialkylamino)alkyl (meth)acrylate monomers; antistatic agents, preservatives, microbiocides; cosmetics; smooth texture LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-10-25 US disclosed
WO-2011130460-A1 THICKENED AMINO ACID SURFACTANT COMPOSITIONS AND METHODS THEREFOR LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-10-20 WO disclosed
US-8038954-B2 CSF with low platinum/palladium ratios BASF CORPORATION (US) 2011-10-18 US disclosed
US-20110243801-A1 Passivation-Free Coating Process for a CSF BASF CORPORATION (US) 2011-10-06 US disclosed
US-8021650-B2 Polymers containing silicone copolyol macromers and personal care compositions containing same LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-09-20 US disclosed
US-20110195035-A1 Ester Compounds For Use In Personal Care Products LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-08-11 US disclosed
WO-2011081907-A1 CASSIA DERIVATIVES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-07-07 WO disclosed
WO-2011068820-A1 HYDROLYTICALLY STABLE MULTI-PURPOSE POLYMERS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-06-09 WO disclosed
EP-2328547-A1 COPOLYMERS USEFUL AS RHEOLOGY MODIFIERS AND HOME AND PERSONAL CARE COMPOSITIONS BASF SE (DE) 2011-06-08 EP disclosed
WO-2011062805-A1 SURFACTANT-POLYMER BLENDS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-05-26 WO disclosed
US-7923422-B2 Cationic cassia derivatives and applications therefor LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-04-12 US disclosed
EP-2293764-A1 ESTER COMPOUNDS FOR USE IN PERSONAL CARE PRODUCTS Lubrizol Advanced Materials, Inc. (US) 2011-03-16 EP 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-20110195035-A1 Ester Compounds For Use In Personal Care Products ELOC, ELANE, PBDC1 TSHR 4170/4885TP53 635/4885

“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.