SCHEMBL10148340

SCHEMBL10148340

CCOC(=O)[C@H]1CC[C@@H](Oc2c(F)cc(C(C)=O)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 3/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL10148338 0.90 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EHSD11B1TSHR
SCHEMBL2166026 0.82 KDM4E (0.54) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL10185088 0.82 CHRM1 (0.40) ALDH1A1TDP1KDM4EHSD11B1TSHR
SCHEMBL10148201 0.79 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EHSD11B1TSHR
SCHEMBL14804174 0.79 ALDH1A1 (0.56) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL10148343 0.79 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EHSD11B1TSHR
SCHEMBL10148350 0.77 ALDH1A1 (0.43) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL10148283 0.77 ALDH1A1 (0.43) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL22283611 0.77 ALDH1A1 (0.46) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2
SCHEMBL10148021 0.76 RAB9A (0.49) ALDH1A1TDP1KDM4ETSHRSMN1; SMN2

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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 ALDH1A1 963/4885TDP1 2744/4885KDM4E 3060/4885

“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.