SCHEMBL10148019

SCHEMBL10148019

CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(C(=O)OCc3ccccc3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNH2 Q12809 1/20 0.46
EGFR P00533 2/20 0.44
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
FAAH O00519 1/20 0.41
EPHX2 P34913 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
SCHEMBL10148014 0.90 OPRM1 (0.47) OPRM1OPRK1KCNH2EGFRKMT2A
SCHEMBL10148021 0.85 RAB9A (0.49) LPAR1LPAR5OPRM1OPRK1KCNH2
SCHEMBL24515780 0.83 RXFP1 (0.45) LPAR1LPAR5KMT2AMAPTPKM
SCHEMBL24515252 0.83 RXFP1 (0.45) LPAR1LPAR5KMT2AMAPTPKM
SCHEMBL10147938 0.83 EPHX2 (0.54) EGFRKMT2AGAARAB9AMAPT
SCHEMBL665140 0.83 EPHX2 (0.54) EGFRKMT2AGAARAB9AMAPT
SCHEMBL240105 0.83 EPHX2 (0.54) EGFRKMT2AGAARAB9AMAPT
SCHEMBL10148066 0.80 MAPT (0.45) EGFRKMT2AMAPTPKMNPSR1
SCHEMBL10148356 0.79 LPAR1 (0.52) LPAR1LPAR5KMT2AGAAPKM
SCHEMBL16507018 0.79 LPAR1 (0.52) LPAR1LPAR5KMT2AGAAPKM

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 LPAR1 1629/4885LPAR5 2217/4885OPRM1 2557/4885

“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.