SCHEMBL21133752

SCHEMBL21133752

O=C(O)C1(C(=O)O)C2CCCCCCCCCCC1C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 3/20 0.33
EPHX1 P07099 7/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 2/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 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
SCHEMBL22640750 0.74 CES2 (0.39) CES2CES1KDM4EEPHX1NPC1
SCHEMBL210214 0.70 CES2 (0.36) CES2CES1KDM4EEPHX1NPC1
SCHEMBL3839479 0.70 CYP3A4 (0.38) CES2CES1KDM4EEPHX1NPC1
SCHEMBL2747723 0.69 HSD11B1 (0.42) HSD11B1TSHR
SCHEMBL2530342 0.68 CYP3A4 (0.44) CES2CES1KDM4EEPHX1NPC1
SCHEMBL7876266 0.68 CYP3A4 (0.44) CES2CES1KDM4EEPHX1NPC1
SCHEMBL10938537 0.68 CYP3A4 (0.44) CES2CES1KDM4EEPHX1NPC1
SCHEMBL50170 0.68 CYP3A4 (0.44) CES2CES1KDM4EEPHX1NPC1
SCHEMBL1052271 0.68 CYP3A4 (0.40) CES2CES1KDM4EEPHX1NPC1
SCHEMBL8796429 0.68 CYP3A4 (0.44) CES2CES1KDM4EEPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343972-B2 Fullerene derivative, fluororesin composition, and lubricant SHOWA DENKO K.K. (JP) 2019-07-09 US 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-10343972-B2 Fullerene derivative, fluororesin composition, and lubricant PFN1, FSCN1, FLNA CES2 2207/4885CES1 3994/4885KDM4E 4174/4885

“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.