SCHEMBL664676

SCHEMBL664676

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
EPHX2 P34913 8/20 0.51
FAAH O00519 3/20 0.48
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
SRD5A1 P18405 1/20 0.45
EGFR P00533 1/20 0.45
SRD5A2 P31213 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL241349 1.00 POLB (0.57) POLBALDH1A1LMNACASP3SENP8
SCHEMBL10147939 1.00 POLB (0.57) POLBALDH1A1LMNACASP3SENP8
SCHEMBL10148426 0.88 POLB (0.49) POLBALDH1A1MAPTKMT2ATSHR
SCHEMBL1749787 0.87 ALDH1A1 (0.54) POLBALDH1A1PKMKMT2ATSHR
SCHEMBL30929539 0.87 ALDH1A1 (0.54) POLBALDH1A1PKMKMT2ATSHR
SCHEMBL602162 0.85 EPHX2 (0.57) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL601086 0.85 EPHX2 (0.57) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL433358 0.85 EPHX2 (0.57) ALDH1A1LMNACASP3SENP8SENP6
SCHEMBL3542997 0.85 POLB (0.53) POLBALDH1A1LMNATDP1PKM
SCHEMBL3412804 0.85 POLB (0.53) POLBALDH1A1LMNATDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
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
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 POLB 3114/4885ALDH1A1 963/4885LMNA 2889/4885

“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.