SCHEMBL5523565

SCHEMBL5523565

CC(C)C1(OC(=O)C2CC=CCC2C(=O)O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 7/20 0.34
TDP1 Q9NUW8 5/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHD1L Q86WJ1 1/20 0.32
PARP9 Q8IXQ6 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5523568 0.94 GAA (0.37) POLBGAAMEN1KMT2ANPSR1
SCHEMBL5520500 0.86 POLB (0.35) KDM4EALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL2380769 0.82 ACE (0.38) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5518257 0.80 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5520502 0.79 GAA (0.34) POLBGAAMEN1KMT2ANPSR1
SCHEMBL5515711 0.79 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL2380767 0.78 CYP3A4 (0.36) TDP1LMNAMEN1KMT2ANPSR1
SCHEMBL5530957 0.77 POLB (0.38) KDM4EALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5524057 0.74 POLB (0.40) KDM4EALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL5518259 0.73 CYP19A1 (0.40) KDM4EALDH1A1POLBGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 KDM4E 498/4885ALDH1A1 3078/4885SMN1; 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.