SCHEMBL10148338

SCHEMBL10148338

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 4/20 0.40
POLB P06746 4/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 3/20 0.39
GLA P06280 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SHMT2 P34897 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL10148340 0.90 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EHSD11B1KMT2A
SCHEMBL10148021 0.84 RAB9A (0.49) ALDH1A1TDP1KDM4EKMT2APOLB
SCHEMBL2166026 0.82 KDM4E (0.54) ALDH1A1TDP1KDM4EKMT2APOLB
SCHEMBL10185088 0.82 CHRM1 (0.40) ALDH1A1TDP1KDM4EHSD11B1POLB
SCHEMBL5022271 0.79 ALDH1A1 (0.56) ALDH1A1TDP1KDM4EKMT2APOLB
SCHEMBL10148341 0.79 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EHSD11B1KMT2A
SCHEMBL10148199 0.79 ALDH1A1 (0.44) ALDH1A1TDP1KDM4EHSD11B1KMT2A
SCHEMBL661513 0.77 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EKMT2APOLB
SCHEMBL661512 0.77 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EKMT2APOLB
SCHEMBL10148349 0.77 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EKMT2APOLB

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 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.