SCHEMBL4254512

SCHEMBL4254512

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.67
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
GAA P10253 2/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL4249935 0.90 AKR1B1 (0.56) AKR1B1KDM4ELMNAMAPTALDH1A1
SCHEMBL4252102 0.87 KDM4E (0.64) AKR1B1KDM4ELMNACYP1A2MAPT
SCHEMBL4246734 0.84 AKR1B1 (0.52) AKR1B1KDM4ELMNACYP1A2MAPT
SCHEMBL4250567 0.84 KDM4E (0.47) AKR1B1KDM4ELMNACYP1A2MAPT
SCHEMBL4256577 0.84 AKR1B1 (0.67) AKR1B1KDM4EMAPTMEN1KMT2A
SCHEMBL4253623 0.82 MAOB (0.65) AKR1B1KDM4ELMNACYP1A2MAPT
SCHEMBL4246750 0.81 AKR1B1 (0.61) AKR1B1KDM4EMAPTMEN1KMT2A
SCHEMBL4251463 0.80 AKR1B1 (0.75) AKR1B1KDM4ELMNACYP1A2MAPT
SCHEMBL4250533 0.80 MAOB (0.56) AKR1B1KDM4EMAPTMEN1KMT2A
SCHEMBL4249682 0.79 MAOB (0.55) AKR1B1KDM4EMAPTALDH1A1TDP1

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 237/4885KDM4E 978/4885LMNA 1091/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL AKR1B1 237/4885KDM4E 978/4885LMNA 1091/4885

“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.