SCHEMBL4246734

SCHEMBL4246734

CC(C)COC(=O)c1cc(=O)c2ccc([N+](=O)[O-])cc2o1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.52
MAOB P27338 3/20 0.46
KDM4E B2RXH2 2/20 0.45
SLC2A1 P11166 1/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SETD7 Q8WTS6 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4250542 0.91 MAOB (0.51) AKR1B1MAOBKMT2AMEN1SETD7
SCHEMBL4256577 0.88 AKR1B1 (0.67) AKR1B1MAOBKDM4ESLC2A1KMT2A
SCHEMBL4253623 0.86 MAOB (0.65) AKR1B1MAOBKDM4ESLC2A1LMNA
SCHEMBL4254512 0.84 AKR1B1 (0.67) AKR1B1MAOBKDM4ELMNACYP1A2
SCHEMBL4250533 0.84 MAOB (0.56) AKR1B1MAOBKDM4ESLC2A1KMT2A
SCHEMBL4252102 0.84 KDM4E (0.64) AKR1B1MAOBKDM4ELMNACYP1A2
SCHEMBL4249682 0.83 MAOB (0.55) AKR1B1MAOBKDM4ESLC2A1MAPT
SCHEMBL4246759 0.82 MAOB (0.54) AKR1B1MAOBKDM4ESLC2A1MAPT
SCHEMBL4251632 0.82 AKR1B1 (0.57) AKR1B1MAOBKDM4ESLC2A1KMT2A
SCHEMBL4250567 0.81 KDM4E (0.47) AKR1B1MAOBKDM4ESLC2A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497571-B Process for producing chromone compound SUMITOMO CO LTD 2012-07-04 CN disclosed
CN-1911896-B Process for producing benzopyrone compound SUMITOMO CHEMICAL CO 2010-09-15 CN disclosed
EP-2105432-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-2105431-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
CN-101497571-A Process for producing chromone compound SUMITOMO CHEMICAL CO (JP) 2009-08-05 CN disclosed
CN-100509751-C Process for producing benzopyranone compound SUMITOMO CHEMICAL CO (JP) 2009-07-08 CN disclosed
EP-1867626-A2 Process for producing chromone compound Sumitomo Chemical Company, Limited (JP) 2007-12-19 EP disclosed
CN-1911896-A Process for producing chromone compound SUMITOMO CHEMICAL CO (JP) 2007-02-14 CN disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 US disclosed
US-7094914-B2 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-22 US disclosed
CN-1649824-A Process for producing benzopyranone compound SUMITOMO CHEMICAL CO (JP) 2005-08-03 CN disclosed
US-20050085664-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LMITED (JP) 2005-04-21 US disclosed
EP-1479667-A1 PROCESS FOR PRODUCING CHROMONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-24 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-20050085664-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL AKR1B1 237/4885MAOB 476/4885KDM4E 978/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL AKR1B1 237/4885MAOB 476/4885KDM4E 978/4885

“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.