SCHEMBL3443302

SCHEMBL3443302

CCC(CO)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
ACP3 P15309 3/20 0.44
KMT2A Q03164 2/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
HTR2C P28335 3/20 0.42
SLC6A4 P31645 1/20 0.41
TSHR P16473 1/20 0.41
AOC3 Q16853 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2126034 0.88 ALDH1A1 (0.54) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL9352587 0.88 CYP2C19 (0.54) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL7383920 0.86 CYP2C9 (0.44) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL7384532 0.86 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL7385565 0.83 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL7381122 0.83 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1CYP2C9KMT2A
SCHEMBL28799219 0.81 CYP2C9 (0.47) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL3443300 0.81 CYP2C9 (0.47) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL5610042 0.81 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1CYP2C9ACP3
SCHEMBL2126036 0.81 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1CYP2C9KMT2A

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 34 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
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
EP-1611173-B1 POLYMERIC MODIFIERS AND PHARMACEUTICAL COMPOSITIONS DAIICHI SANKYO CO LTD (JP) 2008-03-05 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 CYP1A2 516/4885CYP2C19 300/4885ALDH1A1 963/4885
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 CYP1A2 2718/4885CYP2C19 3333/4885ALDH1A1 131/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 CYP1A2 768/4885CYP2C19 917/4885ALDH1A1 709/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR CYP1A2 3259/4885CYP2C19 1502/4885ALDH1A1 2596/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 CYP1A2 768/4885CYP2C19 917/4885ALDH1A1 709/4885

“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.