SCHEMBL664683

SCHEMBL664683

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SHMT2 P34897 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PKM P14618 1/20 0.42
HRH1 P35367 3/20 0.41
CCR3 P51677 3/20 0.41
KCNH2 Q12809 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL664684 1.00 TSHR (0.45) TSHRALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL10148171 0.90 ALDH1A1 (0.45) TSHRALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL10148076 0.88 POLB (0.47) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL10148190 0.86 ALDH1A1 (0.45) TSHRALDH1A1KDM4EPOLBKMT2A
SCHEMBL21434667 0.85 HRH1 (0.50) TSHRSMN1; SMN2MAOBHRH1CCR3
SCHEMBL10148067 0.85 ALDH1A1 (0.47) TSHRALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL10148310 0.85 ALDH1A1 (0.47) TSHRALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL10184833 0.85 KMT2A (0.44) TSHRALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL664060 0.85 MAPT (0.45) TSHRALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL664061 0.85 MAPT (0.45) TSHRALDH1A1KDM4ESMN1; SMN2HSD11B1

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 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.