SCHEMBL697406

SCHEMBL697406

CCOC(=O)CNc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
ALDH1A1 P00352 2/20 0.64
CDC25B P30305 3/20 0.58
CDC25A P30304 1/20 0.58
CDC25C P30307 1/20 0.58
KDM4E B2RXH2 5/20 0.53
POLB P06746 1/20 0.53
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ELANE P08246 1/20 0.52
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL22341523 0.92 HPGD (0.56) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL1154304 0.86 CYP1A2 (0.61) HPGDALDH1A1CDC25BCDC25ACDC25C
Hydrochloric Acid SCHEMBL808814 0.84 CYP1A2 (0.60) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL16269205 0.84 HDAC6 (0.51) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL31059199 0.84 KDM4E (0.51) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL5400691 0.83 ALDH1A1 (0.49) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL28667127 0.82 TOP2A (0.58) HPGDALDH1A1CDC25BCDC25ACDC25C
Iodide SCHEMBL16268532 0.82 ALDH1A1 (0.44) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL18741259 0.81 KDM4E (0.47) HPGDALDH1A1KDM4ECA12CA4
SCHEMBL22945078 0.81 TOP2A (0.57) HPGDALDH1A1CDC25BCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0721944-B1 IMIDAZOLIDINE DERIVATIVE AND USE THEREOF SUNTORY LTD (JP) 2001-01-17 EP disclosed
US-6084093-A SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES G. D. SEARLE & CO. (US) 2000-07-04 US disclosed
EP-0598753-B1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO CO (US) 1998-03-18 EP disclosed
US-5691335-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-11-25 US disclosed
US-5637578-A AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION MONSANTO COMPANY 1997-06-10 US disclosed
US-5610293-A TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION MONSANTO COMPANY (US) 1997-03-11 US disclosed
EP-0721944-A1 IMIDAZOLIDINE DERIVATIVE AND USE THEREOF SUNTORY LIMITED (JP) 1996-07-17 EP disclosed
EP-0598753-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1994-06-01 EP disclosed
WO-1993002090-A1 MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE MONSANTO COMPANY (US) 1993-02-04 WO disclosed
EP-0524161-A1 Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide MONSANTO COMPANY (US) 1993-01-20 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 EP disclosed
US-4459349-A A 2-NAPHTHYL-4,5-DIPHENYLIMIDAZOLYL DIMER, UNSATURATED MONOMER TOYO BOSEKI KABUSHIKI KAISHA (JP) 1984-07-10 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 (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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 HPGD 346/4885ALDH1A1 727/4885CDC25B 1840/4885

“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.