SCHEMBL4230636

SCHEMBL4230636

CCC(=O)CCCOC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41

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
SCHEMBL28076401 0.91 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL6066578 0.86 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL7047113 0.86 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL28104005 0.80 ALOX15 (0.46) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL28564950 0.80 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10CHRM5
Acetic Acid Butyl Ester SCHEMBL28321973 0.80 ALDH1A1 (0.78) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL22897374 0.80 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27777907 0.80 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL25339939 0.79 TSHR (0.61) ALDH1A1TSHRTDP1NAAAATM
SCHEMBL28259916 0.79 ALDH1A1 (0.61) ALDH1A1TSHRLMNAHSD17B10CHRM5

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
CN-102125622-B Detection method of traditional Chinese medicine preparation for clearing away heat and toxic material, removing food retention and regulating stomach BEIJING ASIA EAST BIO PHARM CO 2012-10-03 CN claimed
CN-102125622-A Detection method of traditional Chinese medicine preparation for clearing away heat and toxic material, removing food retention and regulating stomach BEIJING ASIA EAST BIO PHARM CO 2011-07-20 CN claimed
CN-101632741-B Detection method of traditional Chinese medicine preparation for clearing away heat and toxic materials, removing food stagnation and harmonizing stomach BEIJING ASIA EAST BIO PHARM CO 2011-03-30 CN claimed
CN-101954020-A Chewable tablet for stimulating appetite and helping digestion BEIJING ASIA EAST BIO PHARM CO 2011-01-26 CN claimed
CN-1876022-A Pharmaceutical composition with red sage root and Erigeron breviscapus for treating cerebrovascular disease, its preparation process and quality control method GUIYANG YUNYAN XICHUANG PHARM (CN) 2006-12-13 CN claimed
CN-117511481-A Preparation method of polyurethane pressure-sensitive adhesive for protective film and preparation method of protective film 常州都铂高分子有限公司 2024-02-06 CN disclosed
CN-115353632-A Polyhydroxy cyclic polymer/polysiloxane double-modified phenolic resin and preparation method and application thereof 深圳先进电子材料国际创新研究院 2022-11-18 CN disclosed
EP-3067352-A2 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF Cardioxyl Pharmaceuticals Inc. (US) 2016-09-14 EP disclosed
CN-103012513-A Preparation method and application of methyl-hydroxyl stilbene glycoside crystal KUNMING XIANGHAO SCIENCE & TECHNOLOGY CO LTD 2013-04-03 CN disclosed
US-8318705-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
CN-101954020-A Chewable tablet for stimulating appetite and helping digestion BEIJING ASIA EAST BIO PHARM CO 2011-01-26 CN disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 US disclosed
JP-2009221216-A CRYSTALLINE FORM OF ATORVASTATIN TEVA PHARMACEUTICAL INDUSTRIES LTD 2009-10-01 JP disclosed
CN-1876022-A Pharmaceutical composition with red sage root and Erigeron breviscapus for treating cerebrovascular disease, its preparation process and quality control method GUIYANG YUNYAN XICHUANG PHARM (CN) 2006-12-13 CN 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-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 ALDH1A1 624/4885TSHR 3830/4885LMNA 4217/4885

“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.