SCHEMBL10148299

SCHEMBL10148299

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
ACSL1 P33121 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
DHODH Q02127 2/20 0.39
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
SCN9A Q15858 1/20 0.39
ACACB O00763 1/20 0.39
CPS1 P31327 1/20 0.38

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
SCHEMBL10148296 0.91 HRH3 (0.45) HRH3PTGS1PTGS2FFAR4ACSL1
SCHEMBL10184293 0.85 HRH3 (0.48) HRH3PTGS1PTGS2FFAR4ACSL1
SCHEMBL10186399 0.84 CRBN (0.41) HRH3PTGS1PTGS2FFAR4RARA
SCHEMBL10148305 0.82 SCN9A (0.41) FFAR4SCN9A
SCHEMBL10148321 0.81 FFAR4 (0.37) FFAR4ACACB
SCHEMBL10148308 0.80 EPHX2 (0.53) PARP10
SCHEMBL10186395 0.78 NR1H4 (0.44) HRH3
SCHEMBL10148310 0.77 ALDH1A1 (0.47) HRH3PTGS1PTGS2FFAR4RARA
SCHEMBL10148067 0.77 ALDH1A1 (0.47) HRH3PTGS1PTGS2FFAR4RARA
SCHEMBL12440598 0.77 EPHX2 (0.42) ACSL1PARP10ACACB

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 HRH3 2422/4885PTGS1 2063/4885PTGS2 1661/4885

“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.