SCHEMBL6405697

SCHEMBL6405697

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 3/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
MYC P01106 2/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
NR4A1 P22736 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CTSK P43235 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HPGD P15428 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
SCHEMBL6402887 0.90 ALDH1A1 (0.48) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL10477481 0.88 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6402917 0.88 ALDH1A1 (0.52) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6398708 0.85 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TP53KDM4E
SCHEMBL6402145 0.85 ALDH1A1 (0.54) ALDH1A1TSHRALOX15KDM4EKMT2A
SCHEMBL6400461 0.83 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL7219089 0.82 TSHR (0.56) ALDH1A1TSHRHSD17B10TP53KMT2A
SCHEMBL15676165 0.81 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10TP53
SCHEMBL6399152 0.80 ALDH1A1 (0.46) ALDH1A1TSHRALOX15KDM4EKMT2A
SCHEMBL28349071 0.79 ALDH1A1 (0.49) ALDH1A1TSHRALOX15HSD17B10TP53

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.