SCHEMBL10148378

SCHEMBL10148378

Cc1cc(C(=O)O)ccc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
KDM2B Q8NHM5 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
PDE4B Q07343 4/20 0.47
MAP4K4 O95819 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
RXRA P19793 1/20 0.47
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PTGER1 P34995 2/20 0.45

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
SCHEMBL10148381 0.94 MAP4K4 (0.54) PDE4BMAP4K4PDE4APDE4CPDE4D
SCHEMBL17050363 0.88 NR1H4 (0.48) NR1H4KDM2BKDM4CPDE4BMAP4K4
SCHEMBL28034346 0.86 PDE4B (0.53) NR1H4PDE4BMAP4K4PDE4APDE4C
SCHEMBL27195879 0.85 RBP4 (0.47) KDM2BKDM4CPDE4BMRGPRX4
SCHEMBL30863550 0.85 RBP4 (0.47) KDM2BKDM4CPDE4BMRGPRX4
SCHEMBL1031663 0.84 CA12 (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL29670247 0.84 TSHR (0.66) PDE4BPDE4APDE4CPDE4DMRGPRX4
SCHEMBL10180471 0.84 ALDH1A1 (0.54) MRGPRX4
SCHEMBL30575456 0.84 CA12 (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL15596058 0.84 TSHR (0.66) PDE4BPDE4APDE4CPDE4DMRGPRX4

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 NR1H4 405/4885KDM2B 3056/4885KDM4C 2973/4885

“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.