SCHEMBL820089

SCHEMBL820089

CC(CC[O])c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A4 P31645 1/20 0.45
CASR P41180 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
METAP2 P50579 2/20 0.42
METAP1 P53582 2/20 0.42
EPHX2 P34913 2/20 0.42

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
SCHEMBL7382719 0.89 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL7378956 0.88 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL3412391 0.85 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL7705711 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL820090 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL536861 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL6014505 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL5610397 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL5610407 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL2125548 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-18 US disclosed
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-8263631-B2 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-11 US disclosed
EP-1748040-B1 PROCESS FOR PRODUCING ALPHA-OXOCARBONYL COMPOUND KURARAY CO LTD KURASHIKI PLANT (JP) 2012-01-11 EP disclosed
US-7811556-B2 Polymeric modifiers and pharmaceutical compositions SANKYO COMPANY, LIMITED (JP) 2010-10-12 US disclosed
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-01-29 US disclosed
EP-1982718-A1 ANTI-CANCER PHARMACEUTICAL COMPOSITION Daiichi Sankyo Company, Limited (JP) 2008-10-22 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
EP-0603225-B1 PROCESS FOR PRODUCING alpha-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AG (DE) 1997-06-04 EP disclosed
EP-0603225-A1 PROCESS FOR PRODUCING -g(a)-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES. BASF AG (DE) 1994-06-29 EP disclosed
WO-1993005053-A1 PROCESS FOR PRODUCING α-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 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 (5 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 ALDH1A1 963/4885CYP1A2 516/4885CYP2C9 400/4885
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 ALDH1A1 131/4885CYP1A2 2718/4885CYP2C9 3737/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 ALDH1A1 709/4885CYP1A2 768/4885CYP2C9 1675/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR ALDH1A1 2596/4885CYP1A2 3259/4885CYP2C9 3044/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 ALDH1A1 709/4885CYP1A2 768/4885CYP2C9 1675/4885

“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.