SCHEMBL10148231

SCHEMBL10148231

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(C)=O)c(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL10148319 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ENPC1TDP1
SCHEMBL10148229 0.90 TSHR (0.41) ALDH1A1KDM4ETDP1GLATSHR
SCHEMBL10148317 0.90 TSHR (0.41) ALDH1A1KDM4ETDP1GLATSHR
SCHEMBL10185041 0.83 TSHR (0.43) ALDH1A1KDM4ETDP1GLATSHR
SCHEMBL10184863 0.83 TSHR (0.43) ALDH1A1KDM4ETDP1GLATSHR
SCHEMBL10186391 0.82 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1TDP1GLA
SCHEMBL10148283 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPC1TDP1
SCHEMBL10148350 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPC1TDP1
SCHEMBL10148311 0.80 NPC1 (0.46) ALDH1A1MAPTKDM4ENPC1TDP1
SCHEMBL16507018 0.77 LPAR1 (0.52) ALDH1A1KDM4ETDP1TSHRGAA

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 963/4885MAPT 2628/4885KDM4E 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.