SCHEMBL5529388

SCHEMBL5529388

CC(C)COC(=O)C1CC=CCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL28560041 1.00 POLB (0.40) POLBRAB9ASMN1; SMN2GAATSHR
SCHEMBL31321954 0.93 GAA (0.41) POLBRAB9AGAATSHRALDH1A1
SCHEMBL1169319 0.93 GAA (0.41) POLBRAB9AGAATSHRALDH1A1
SCHEMBL31326842 0.93 GAA (0.41) POLBRAB9AGAATSHRALDH1A1
SCHEMBL22547264 0.86 GAA (0.38) GAATSHRALDH1A1HSD17B10MEN1
SCHEMBL20779948 0.86 POLB (0.38) POLBSMN1; SMN2GAATSHRALDH1A1
SCHEMBL28553104 0.83 PPARG (0.47) POLBSMN1; SMN2GAATSHRALDH1A1
SCHEMBL28867353 0.83 PPARG (0.47) POLBSMN1; SMN2GAATSHRALDH1A1
SCHEMBL1169433 0.83 GAA (0.36) POLBRAB9AGAATSHRALDH1A1
SCHEMBL1297747 0.82 RAB9A (0.42) RAB9ATSHRALDH1A1CHRM2CHRM4

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-112661883-B Solid catalyst component for preparing polyolefin, catalyst system and application thereof 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-112661883-A Solid catalyst component for preparing polyolefin, catalyst system and application thereof 中国石油化工股份有限公司 2021-04-16 CN claimed
CN-112661883-B Solid catalyst component for preparing polyolefin, catalyst system and application thereof 中国石油化工股份有限公司 2022-10-21 CN disclosed
CN-112661883-A Solid catalyst component for preparing polyolefin, catalyst system and application thereof 中国石油化工股份有限公司 2021-04-16 CN disclosed
US-7282601-B2 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-10-16 US disclosed
US-7271282-B1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 POLB 893/4885RAB9A 4576/4885SMN1; SMN2 3160/4885

“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.