SCHEMBL6005029

SCHEMBL6005029

[O]CCOc1ccccc1[C]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
JAK2 O60674 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
RECQL P46063 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTK2B Q14289 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL947129 0.83 PTGDR2 (0.38) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL6008123 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL11176095 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL10458170 0.82 KDM4E (0.41) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL910513 0.82 CYP1A2 (0.43) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL7368669 0.81 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL195415 0.81 CYP1A2 (0.55) SMN1; SMN2HPGDLMNAMAPTGAA
SCHEMBL7363062 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDHTTLMNA
SCHEMBL6539340 0.79 CYP11B1 (0.45) NPC1RAB9A
SCHEMBL2244225 0.79 CYP3A4 (0.51) ALDH1A1HPGDLMNAMAPTNPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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 (2 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR ALDH1A1 157/4885SMN1; SMN2 4361/4885HPGD 11/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885SMN1; SMN2 4010/4885HPGD 739/4885

“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.