SCHEMBL10148076

SCHEMBL10148076

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SHMT2 P34897 1/20 0.47
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CCR8 P51685 1/20 0.41
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10148190 0.89 ALDH1A1 (0.45) POLBSHMT2TSHRMAPTMAOA
SCHEMBL18114451 0.88 MAOB (0.46) MAOAMAOBALDH1A1TDP1HTT
SCHEMBL664683 0.88 TSHR (0.45) POLBSHMT2TSHRMAOAMAOB
SCHEMBL10148067 0.88 ALDH1A1 (0.47) POLBSHMT2TSHRMAPTALDH1A1
SCHEMBL664684 0.88 TSHR (0.45) POLBSHMT2TSHRMAOAMAOB
SCHEMBL10148310 0.88 ALDH1A1 (0.47) POLBSHMT2TSHRMAPTALDH1A1
SCHEMBL10148169 0.86 POLB (0.43) POLBSHMT2TSHRMAOAMAOB
SCHEMBL661702 0.86 ALDH1A1 (0.52) POLBSHMT2TSHRMAPTMAPK1
SCHEMBL661703 0.86 ALDH1A1 (0.52) POLBSHMT2TSHRMAPTMAPK1
SCHEMBL10148181 0.85 ALDH1A1 (0.47) POLBSHMT2TSHRMAPK1MAOA

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 POLB 3114/4885SHMT2 159/4885TSHR 4189/4885

“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.