SCHEMBL10148229

SCHEMBL10148229

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
SHMT2 P34897 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 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
SCHEMBL10148317 1.00 TSHR (0.41) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10148231 0.90 ALDH1A1 (0.42) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10148319 0.90 ALDH1A1 (0.42) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10184863 0.83 TSHR (0.43) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10185041 0.83 TSHR (0.43) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10186391 0.82 ALDH1A1 (0.38) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL4441490 0.82 TSHR (0.54) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL10148349 0.81 ALDH1A1 (0.43) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL661513 0.81 ALDH1A1 (0.43) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL661512 0.81 ALDH1A1 (0.43) TSHRALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO 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 TSHR 4189/4885ALDH1A1 963/4885KDM4E 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.