SCHEMBL5518259

SCHEMBL5518259

CC1(OC(=O)C2CC=CCC2C(=O)OC2(C)CCCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5518257 0.93 ALDH1A1 (0.41) CYP19A1SCN1ASCN2ASCN3AGAA
SCHEMBL2380571 0.81 CYP19A1 (0.38) CYP19A1SCN1ASCN2ASCN3ACYP1A2
SCHEMBL13649838 0.78 MIF (0.38) CYP19A1MEN1KMT2AALDH1A1
SCHEMBL5530960 0.77 MEN1 (0.33) GAAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5523568 0.77 GAA (0.37) GAAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13533557 0.76 MIF (0.39) CYP19A1MEN1KMT2AALDH1A1
SCHEMBL7131924 0.76 CYP19A1 (0.37) CYP19A1SCN1ASCN2ASCN3A
SCHEMBL2380572 0.75 CYP19A1 (0.35) CYP19A1SCN1ASCN2ASCN3ACYP2C19
SCHEMBL5524059 0.75 MEN1 (0.32) GAAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL525107 0.74 LMNA (0.42) CYP19A1SCN1ASCN2ASCN3AKMT2A

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 CYP19A1 91/4885SCN1A 3770/4885SCN2A 3734/4885

“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.