Sugi Predict

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SCHEMBL70341

SCHEMBL70341

CCOC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ NR1H4 Q96RI1 1/20 0.60
▸ MAOB P27338 1/20 0.57
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NR4A1 P22736 1/20 0.56
▸ NR4A2 P43354 1/20 0.56
▸ NR4A3 Q92570 1/20 0.56
▸ EGFR P00533 4/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL377079 0.86 MAOB (0.60) ALDH1A1NR1H4MAOBRAB9ASMN1; SMN2
SCHEMBL70333 0.86 PTPN1 (0.73) ALDH1A1NR1H4MAOBNR4A2SRD5A2
SCHEMBL4709350 0.85 HDAC3 (0.59) ALDH1A1NR1H4MAOBRAB9ASMN1; SMN2
SCHEMBL13875448 0.83 ALDH1A1 (0.65) ALDH1A1NR1H4MAOBRAB9ASMN1; SMN2
SCHEMBL19545100 0.83 ERCC5 (0.68) ALDH1A1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11683646 0.83 PTPN1 (0.72) ALDH1A1MAOBRAB9ASMN1; SMN2MAPT
SCHEMBL70968 0.83 ERCC5 (0.58) ALDH1A1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL4930004 0.83 P4HTM (0.60) ALDH1A1NR1H4MAOBRAB9ASMN1; SMN2
SCHEMBL7911106 0.83 ALDH1A1 (0.55) ALDH1A1NR1H4MAOBRAB9ASMN1; SMN2
SCHEMBL5349028 0.82 NR1H4 (0.64) ALDH1A1NR1H4MAOBRAB9ASMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 — — US disclosed
CN-1918129-B Therapeutic agents ASTRAZENECA AB 2011-06-15 — — CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 — — EP disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 — — EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 — — US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — US disclosed
EP-1718617-B1 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2009-08-19 — — EP disclosed
US-20090149463-A1 Therapeutic agents CHENG LEIFENG 2009-06-11 — — US disclosed
CN-100436445-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2008-11-26 — — CN disclosed
CN-1918129-A Therapeutic agents ASTRAZENECA AB (SE) 2007-02-21 — — CN disclosed
EP-1718617-A2 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS AstraZeneca AB (SE) 2006-11-08 — — EP disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 — — US disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 — — CN disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 — — EP disclosed
WO-2005080343-A2 3-SUBSTITUTED 1,5-DIPHENYLPYRAZOLE DERIVATIVES USEFUL AS CB1 MODULATORS ASTRAZENECA AB (SE) 2005-09-01 — — WO disclosed
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 — — US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 — — EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 — — EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 — — 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 (3 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 ALDH1A1 139/4885NR1H4 2933/4885MAOB 1442/4885
US-20090149463-A1 Therapeutic agents NLN, BDNF, GAP43 ALDH1A1 500/4885NR1H4 570/4885MAOB 59/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 784/4885NR1H4 778/4885MAOB 1648/4885

“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.