SCHEMBL432503

SCHEMBL432503

CCOC(=O)c1cc(=O)c2ccc(OCC)cc2o1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.78
AKR1B1 P15121 3/20 0.72
KDM4E B2RXH2 5/20 0.60
MAOB P27338 2/20 0.60
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8115506 0.91 SLC2A1 (0.73) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL24496704 0.90 SLC2A1 (0.72) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL21174962 0.90 MAOB (0.70) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL8107014 0.90 KDM4E (0.76) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL5322779 0.90 KDM4E (0.76) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL10459171 0.89 SLC2A1 (0.71) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL10690984 0.87 AKR1B1 (0.69) SLC2A1AKR1B1KDM4EMAOBALDH1A1
SCHEMBL426292 0.86 KDM4E (0.72) SLC2A1AKR1B1KDM4EALDH1A1GAA
SCHEMBL8115968 0.86 SLC2A1 (0.60) SLC2A1AKR1B1KDM4EALDH1A1GAA
SCHEMBL6331153 0.86 AKR1B1 (0.67) SLC2A1AKR1B1KDM4EMAOBALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
EP-0986552-A1 5-NAPHTHALEN-1-YL-1,3-DIOXANE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION SANOFI-SYNTHELABO (FR) 2000-03-22 EP disclosed
WO-1998055474-A1 5-NAPHTHALEN-1-YL-1,3-DIOXANE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION SANOFI-SYNTHELABO (FR) 1998-12-10 WO disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 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 (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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SLC2A1 2856/4885AKR1B1 750/4885KDM4E 4626/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SLC2A1 2968/4885AKR1B1 846/4885KDM4E 4625/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SLC2A1 2856/4885AKR1B1 750/4885KDM4E 4626/4885

“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.