SCHEMBL6400461

SCHEMBL6400461

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.37
KMT2A Q03164 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6399152 0.89 ALDH1A1 (0.46) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL6402145 0.86 ALDH1A1 (0.54) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL246586 0.83 ALDH1A1 (0.52) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL6405697 0.83 ALDH1A1 (0.45) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL6402887 0.83 ALDH1A1 (0.48) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL6402917 0.81 ALDH1A1 (0.52) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL6398708 0.79 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AKDM4EHSD17B10
SCHEMBL236244 0.79 ALDH1A1 (0.57) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL6229580 0.76 ALDH1A1 (0.62) ALDH1A1TSHRALOX15KMT2ASCN1A
SCHEMBL3426363 0.76 EGFR (0.48) ALDH1A1TSHRALOX15KDM4EHSD17B10

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 3078/4885TSHR 3173/4885ALOX15 75/4885

“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.