SCHEMBL2401025

SCHEMBL2401025

C=C(C)C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SRD5A2 P31213 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48

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
Acetic Acid SCHEMBL11899843 0.98 MAPT (0.59) MAPTTSHRTP53CES2CES1
SCHEMBL28670034 0.90 MAPT (0.71) MAPTCES2CES1SMN1; SMN2THRA
Terephthalic Acid SCHEMBL28859780 0.85 TSHR (0.63) TSHRTP53CES2CES1ALDH1A1
Terephthalic Acid SCHEMBL10736240 0.85 TSHR (0.63) TSHRTP53CES2CES1ALDH1A1
Terephthalic Acid SCHEMBL1929898 0.85 TSHR (0.71) TSHRTP53CES2CES1ALDH1A1
Terephthalic Acid SCHEMBL4438514 0.85 TSHR (0.71) TSHRTP53CES2CES1ALDH1A1
SCHEMBL759658 0.83 CES2 (0.65) MAPTCES2CES1ALDH1A1SMN1; SMN2
SCHEMBL9663762 0.83 CES2 (0.65) MAPTCES2CES1ALDH1A1SMN1; SMN2
SCHEMBL6272776 0.81 MAPT (0.61) MAPTCES2CES1SMN1; SMN2THRA
SCHEMBL10893457 0.81 CES2 (0.62) MAPTCES2CES1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109423309-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2023-08-04 CN disclosed
EP-3218009-B1 PROCESS FOR THE CONJUGATION OF A PEPTIDE OR PROTEIN WITH A REAGENT COMPRISING A LEAVING GROUP INCLUDING A PORTION OF PEG POLYTHERICS LTD (GB) 2021-04-07 EP disclosed
EP-1953239-B1 METHOD FOR DETERMINATION OF ALLERGEN IN ENVIRONMENT AND KIT FOR SIMPLE QUANTIFICATION OF ALLERGEN JAPAN SCIENCE & TECH AGENCY (JP) 2012-10-17 EP disclosed
US-8012708-B2 Method for determination of allergen in environment and kit for simple quantification of allergen JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-06 US disclosed
US-20090203058-A1 Method for determination of allergen in environment and kit for simple quantification of allergen JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-13 US disclosed
EP-1953239-A1 METHOD FOR DETERMINATION OF ALLERGEN IN ENVIRONMENT AND KIT FOR SIMPLE QUANTIFICATION OF ALLERGEN Japan Science and Technology Agency (JP) 2008-08-06 EP disclosed
US-20080050764-A1 Method and Apparatus for Measuring Enviromental Allergen JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-02-28 US disclosed
EP-1712637-A1 METHOD AND APPARATUS FOR MEASURING ENVIRONMENTAL ALLERGEN Japan Science and Technology Agency (JP) 2006-10-18 EP disclosed