SCHEMBL6402145

SCHEMBL6402145

CC(CC(C)OC(=O)c1ccccc1C(=O)O)CC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 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
SCHEMBL6400461 0.86 ALDH1A1 (0.46) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6402887 0.85 ALDH1A1 (0.48) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6405697 0.85 ALDH1A1 (0.45) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL28994387 0.84 ALDH1A1 (0.62) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL7865741 0.84 ALDH1A1 (0.64) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6399152 0.83 ALDH1A1 (0.46) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6402917 0.83 ALDH1A1 (0.52) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL28994535 0.82 ALDH1A1 (0.67) ALDH1A1SCN1ASCN2ASCN3ATSHR
SCHEMBL6398708 0.81 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AKDM4E
SCHEMBL3426363 0.78 EGFR (0.48) ALDH1A1TSHRALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3078/4885SCN1A 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.