SCHEMBL661702

SCHEMBL661702

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)O)c(OC)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.42
SHMT2 P34897 1/20 0.42
GRIK1 P39086 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL661703 1.00 ALDH1A1 (0.52) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL10148096 0.91 ALDH1A1 (0.52) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL10148076 0.86 POLB (0.47) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL10186094 0.85 ALDH1A1 (0.47) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL10148190 0.85 ALDH1A1 (0.45) ALDH1A1POLBTDP1TSHRMEN1
SCHEMBL664109 0.85 MEN1 (0.46) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL664110 0.85 MEN1 (0.46) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL10148181 0.85 ALDH1A1 (0.47) ALDH1A1POLBTDP1TSHRMAPK1
SCHEMBL664684 0.84 TSHR (0.45) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL10148067 0.84 ALDH1A1 (0.47) ALDH1A1POLBTDP1TSHRMEN1

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
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
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 963/4885POLB 3114/4885TDP1 2744/4885

“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.