SCHEMBL57901

SCHEMBL57901

[CH2]CCOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 5/20 0.53
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4918652 0.94 TDP1 (0.50) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL9021246 0.92 TDP1 (0.53) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL9021154 0.92 TDP1 (0.53) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL9021144 0.92 TDP1 (0.53) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL8500354 0.92 TDP1 (0.53) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL4922180 0.92 IDO1 (0.55) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL5978694 0.90 IDO1 (0.53) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL196951 0.89 IDO1 (0.67) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL9021596 0.88 IDO1 (0.52) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL9021621 0.88 IDO1 (0.52) IDO1MEN1KMT2AHRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102725269-B synthetic intermediate of oxazole compound and preparation method thereof OTSUKA PHARMA CO LTD 2015-03-25 CN disclosed
EP-2644599-B1 Method for preparing a 2-halo-4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2014-12-10 EP disclosed
EP-2528896-B1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMA CO LTD (JP) 2014-08-27 EP disclosed
US-8598358-B2 Synthetic intermediate of oxazole compound and method for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2644599-A1 Method for preparing 1-substituted-4-nitroimidazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-02 EP disclosed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-8344148-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-01 US disclosed
EP-2528896-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-29 US disclosed
US-20040072690-A1 Novel propionic acid derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2004-04-15 US disclosed
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0500853-B1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM THOMAE GMBH DR K (DE) 1996-12-27 EP disclosed
CN-1112364-A Piperazine derivatives and salts thereof OTSUKA PHARMA CO LTD (JP) 1995-11-22 CN disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 EP disclosed
US-5393774-A Antispasmodic agents PIEPER HELMUT (DE) 1995-02-28 US disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 WO disclosed
EP-0500853-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM. THOMAE GMBH DR K (DE) 1992-09-02 EP disclosed
WO-1992004316-A1 PHENYLETHANOLAMINES, DRUGS CONTAINING THESE COMPOUNDS, AND A METHOD OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1992-03-19 WO disclosed
US-4598155-A 3(5-tetrazolyl)1,4-diaminoanthraquinones CIBA-GEIGY CORPORATION (US) 1986-07-01 US 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-20040072690-A1 Novel propionic acid derivatives PNLIP, LIPC, GPR119 IDO1 4434/4885MEN1 3338/4885KMT2A 3063/4885
US-20120302757-A1 SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME GLP1R, HBB, OXA1L IDO1 1092/4885MEN1 2563/4885KMT2A 2496/4885
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 IDO1 1365/4885MEN1 2367/4885KMT2A 560/4885

“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.