SCHEMBL4333129

SCHEMBL4333129

[CH2]CCCC1CC=CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4325754 0.89 CYP1A2 (0.31) ALDH1A1ALOX15
SCHEMBL7994439 0.88 CYP1A2 (0.30)
SCHEMBL7479466 0.86
SCHEMBL2141114 0.86 MAPK1 (0.38) ALDH1A1ALOX15MAPK1KDM4EHSD17B10
SCHEMBL2136195 0.86 MAPK1 (0.38) ALDH1A1ALOX15MAPK1KDM4EHSD17B10
SCHEMBL7992356 0.86 CYP1A2 (0.33)
SCHEMBL7992364 0.86 CYP1A2 (0.33)
SCHEMBL2138060 0.84 MAPK1 (0.37) ALDH1A1ALOX15MAPK1KDM4EHSD17B10
SCHEMBL11075927 0.84 MAPK1 (0.37) ALDH1A1ALOX15MAPK1KDM4EHSD17B10
SCHEMBL7991276 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3960906-A INSECTICIDES SANDOZ LTD. (CH) 1976-06-01 US claimed
WO-2009145357-A1 IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 WO disclosed
US-20080255121-A1 Combination Drug for Treating Autoimmune Disease DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-10-16 US disclosed
CN-101052420-A Combination drug for treating autoimmune diseases DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-10 CN disclosed
EP-1815867-A1 COMBINATION DRUG FOR TREATING AUTOIMMUNE DISEASE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-08-08 EP disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP disclosed
EP-1122253-B1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMA (JP) 2005-08-17 EP disclosed
CN-1202095-C Heteroaromatic ring compounds SUMITOMO PHARMA (JP) 2005-05-18 CN disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
EP-1122253-A1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-08-08 EP disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed
CN-1143964-A Pyrrolopyridazine derivative SANKYO CO (JP) 1997-02-26 CN disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 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-20080255121-A1 Combination Drug for Treating Autoimmune Disease CAMK2D, CAMK2G, CAMK2B ALDH1A1 3999/4885ALOX15 3680/4885MAPK1 280/4885
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 ALDH1A1 37/4885ALOX15 1525/4885MAPK1 2238/4885

“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.