SCHEMBL12779671

SCHEMBL12779671

CC(=O)CN(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPA1 O75762 1/20 0.45
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL25684934 0.87 ALOX15 (0.62) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL18053237 0.85 KDM4E (0.39) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL18053151 0.85 KDM4E (0.39) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL10170635 0.84 ALOX15 (0.38) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
Ethylene Glycol SCHEMBL6157869 0.82 TRPA1 (0.42) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL12191702 0.82 TDP1 (0.55) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL22821372 0.82 ALDH1A1 (0.41) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL15172342 0.80 BLM (0.41) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL3639097 0.79 TDP1 (0.53) ALOX15KDM4EMAPTSMN1; SMN2TRPA1
SCHEMBL20067033 0.79 TRPA1 (0.44) ALOX15KDM4ETRPA1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111979777-A Durable colorless moisture absorption and sweat releasing composite finishing agent and preparation method thereof 多恩生物科技有限公司 2020-11-24 CN claimed
WO-2024085197-A1 CARRIER MATERIAL FOR LOCALLY RELEASING PARTICULATE SUBSTANCE 国立大学法人 東京大学 2024-04-25 WO disclosed
CN-117736124-A Solid form of naphthylamine mitochondrial autophagy inducer, preparation method, pharmaceutical composition and application thereof 杭州天玑济世生物科技有限公司 2024-03-22 CN disclosed
WO-2023214550-A1 POLYMER MATERIAL HAVING PHASE SEPARATION STRUCTURE OBTAINED BY CONTROLLING NUMBER OF BRANCHES 国立大学法人 東京大学 2023-11-09 WO disclosed
WO-2023214551-A1 POLYMER MATERIAL HAVING PHASE SEPARATION STRUCTURE 国立大学法人 東京大学 2023-11-09 WO disclosed
US-20230174605-A1 IL-2 SEQUENCES AND USES THEREOF Ascendis Pharma Oncology Division A/S (DK) 2023-06-08 US disclosed
US-20210040244-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-02-11 US disclosed
CN-111979777-A Durable colorless moisture absorption and sweat releasing composite finishing agent and preparation method thereof 多恩生物科技有限公司 2020-11-24 CN disclosed
WO-2019163790-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION 国立大学法人東京工業大学 2019-08-29 WO disclosed
US-20190224329-A1 Incremental Dose Finding in Controlled-Release PTH Compounds ASCENDIS PHARMA BONE DISEASES A/S (DK) 2019-07-25 US disclosed
US-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL OPTERION HEALTH AG (CH) 2018-08-02 US disclosed
US-10035970-B2 Friction-reducing compound, method of producing same, and lubricant composition BASF SE (DE) 2018-07-31 US disclosed
US-20170321147-A1 Friction-Reducing Compound, Method of Producing Same, and Lubricant Composition BASF SE (DE) 2017-11-09 US disclosed
US-7897647-B2 Useful in extending the in vivo circulating life of biologically active materials; bicine linker allows for the manipulation of the hydrolysis rate of the prodrug, thereby releasing the native entities at various rates in vivo as well as in vitro ENZON PHARMACEUTICALS, INC. (US) 2011-03-01 US disclosed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 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 (5 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-20190224329-A1 Incremental Dose Finding in Controlled-Release PTH Compounds PTH1R, CALCA, CALCB ALOX15 3040/4885KDM4E 4541/4885MAPT 2668/4885
US-20210040244-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION KIT, SETD7, PAH ALOX15 3838/4885KDM4E 336/4885MAPT 1794/4885
US-20180214387-A1 AQUEOUS SOLUTION COMPRISING A POLYPHENOL SORD, AQP1, SI ALOX15 1113/4885KDM4E 3435/4885MAPT 396/4885
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ALOX15 3326/4885KDM4E 2122/4885MAPT 4624/4885
US-20230174605-A1 IL-2 SEQUENCES AND USES THEREOF IL2, IL2RA, IL4I1 ALOX15 1535/4885KDM4E 3060/4885MAPT 4228/4885

“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.