SCHEMBL6400041

SCHEMBL6400041

CC(C)C1(OC(=O)c2ccccc2C(=O)O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 2/20 0.38
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TP53 P04637 1/20 0.35
AKR1C3 P42330 1/20 0.35
ESR1 P03372 1/20 0.35
ITGB3 P05106 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
SCHEMBL6400043 0.94 TSHR (0.42) ALDH1A1TDP1TSHRSCN1ASCN2A
SCHEMBL6405072 0.86 ALDH1A1 (0.43) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL6404697 0.80 SCN1A (0.51) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL6405076 0.79 TSHR (0.41) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL6402074 0.79 ALDH1A1 (0.42) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL28492099 0.78 ALDH1A1 (0.47) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL6399681 0.77 TDP1 (0.44) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL4580676 0.76 ALDH1A1 (0.44) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL24707014 0.75 TDP1 (0.45) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6
SCHEMBL6405720 0.74 TDP1 (0.42) ALDH1A1TDP1CYP2C9CYP3A4CYP2D6

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 3078/4885TDP1 4374/4885CYP2C9 736/4885

“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.