SCHEMBL444372

SCHEMBL444372

CC(CO)CC(O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.42
TRPA1 O75762 2/20 0.38
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL18937201 1.00 TSHR (0.46) TSHRTDP1TRPA1LMNAL3MBTL1
SCHEMBL10686170 0.82 TSHR (0.46) TSHRTDP1TRPA1LMNAL3MBTL1
SCHEMBL12518823 0.78 TSHR (0.42) TSHRTDP1TRPA1LMNAL3MBTL1
SCHEMBL16074683 0.78 TSHR (0.48) TSHRTDP1TRPA1LMNAL3MBTL1
SCHEMBL12079309 0.77 ALDH1A1 (0.39) TSHRTDP1TRPA1LMNAALDH1A1
SCHEMBL5509376 0.77 ALDH1A1 (0.39) TSHRTDP1TRPA1LMNAALDH1A1
SCHEMBL1789330 0.77 ALDH1A1 (0.39) TSHRTDP1TRPA1LMNAALDH1A1
SCHEMBL1328939 0.77
SCHEMBL45749 0.77
SCHEMBL5505711 0.77 ALDH1A1 (0.39) TSHRTDP1TRPA1LMNAALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052572-A1 COMPOSITIONS FOR STABILIZING DNA, RNA AND PROTEINS IN BLOOD AND OTHER BIOLOGICAL SAMPLES DURING SHIPPING AND STORAGE AT AMBIENT TEMPERATURES EXACT SCIENCES CORPORATION 2012-03-01 US claimed
EP-2367949-A1 PRODUCTION OF BRANCHED-CHAIN ALCOHOLS BY PHOTOSYNTHETIC MICROORAGANISMS Synthetic Genomics, Inc. (US) 2011-09-28 EP claimed
CN-1110541-C Concentrated water-dispersible stable fiber softener compositions PROCTER & GAMBLE (US) 2003-06-04 CN claimed
CN-1098350-C Fabric softening compound/composition PROCTER & GAMBLE (US) 2003-01-08 CN claimed
CN-1244212-A Improved expression vectors PROCTER & GAMBLE (US) 2000-02-09 CN claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1196081-A Concentrated, water dispersible, stable, fabric softening compositions PROCTER & GAMBLE (US) 1998-10-14 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-20140170732-A1 Butanol Dehydrogenase Enzyme from the Bacterium Achromobacter xylosoxidans BUTAMAX ADVANCED BIOFUELS LLC (US) 2014-06-19 US disclosed
US-20130217896-A1 GAS PHASE OXIDATION CATALYST WITH LOW CHARGE TRANSPORT ACTIVATION ENERGY BASF SE (DE) 2013-08-22 US disclosed
US-20120085371-A1 METHOD AND COMPOSITION FOR CLEANING OBJECTS BUBBLES AND BEYOND GMBH (DE) 2012-04-12 US disclosed
US-20120064011-A1 PREPARATION FOR EXTERNAL APPLICATION BUBBLES AND BEYOND GMBH (DE) 2012-03-15 US disclosed
WO-2011159967-A1 EXTRACTION SOLVENTS DERIVED FROM OIL FOR ALCOHOL REMOVAL IN EXTRACTIVE FERMENTATION BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-12-22 WO disclosed
US-20110262872-A1 METHOD OF FORMING RESIST PATTERN AND RESIST COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2011-10-27 US disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
EP-0839180-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
WO-1998002513-A1 SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS THE PROCTER & GAMBLE COMPANY (US) 1998-01-22 WO disclosed
WO-1997003172-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO 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-20110262872-A1 METHOD OF FORMING RESIST PATTERN AND RESIST COMPOSITION POLR1A, PARG, POLR1G TSHR 4051/4885TDP1 236/4885TRPA1 2855/4885
US-20120052572-A1 COMPOSITIONS FOR STABILIZING DNA, RNA AND PROTEINS IN BLOOD AND OTHER BIOLOGICAL SAMPLES DURING SHIPPING AND STORAGE AT AMBIENT TEMPERATURES HNRNPD, HNRNPDL, HNRNPL TSHR 3723/4885TDP1 188/4885TRPA1 4210/4885

“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.