SCHEMBL4437002

SCHEMBL4437002

COc1c([N+](=O)[O-])cc(C=O)c(O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
PRKDC P78527 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TPMT P51580 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
SCHEMBL9550827 0.88 ERN1 (0.52) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL7371372 0.83 KDM4E (0.49) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL790725 0.81 ERN1 (0.54) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL5653572 0.81 ALDH1A1 (0.53) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL5649150 0.80 KDM4E (0.49) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL7279701 0.79 KDM4E (0.44) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL4969724 0.77 ERN1 (0.59) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL30285913 0.77 ERN1 (0.59) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL12154699 0.77 ERN1 (0.54) ERN1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL22411776 0.77 ALDH1A1 (0.53) ERN1KDM4EALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-03-10 US disclosed
CN-101646744-A Time temperature indicator based on oligomeric spiroaromatic compounds FRESHPOINT HOLDINGS SA CH 2010-02-10 CN disclosed
EP-2121870-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2009-11-25 EP disclosed
WO-2008090045-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2008-07-31 WO disclosed
US-6951870-B2 Coumarin derivatives with COMT inhibiting activity ORION CORPORATION (FI) 2005-10-04 US disclosed
CN-1199963-C Coumarin derivatives with COMT inhibiting activity ORION CORP (FI) 2005-05-04 CN disclosed
US-20040110750-A9 Coumarin derivatives with comt inhibiting activity ORION CORPORATION (FI) 2004-06-10 US disclosed
EP-1301503-B1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORP (FI) 2004-02-25 EP disclosed
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity PYSTYNEN JARMO (FI) 2003-10-02 US disclosed
CN-1440399-A Coumarin derivatives with COMT inhibiting activity ORION CORP (FI) 2003-09-03 CN disclosed
EP-1301503-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-04-16 EP disclosed
WO-2002002548-A1 COUMARIN DERIVATIVES WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-01-10 WO 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-20040110750-A9 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 ERN1 858/4885KDM4E 2539/4885ALDH1A1 85/4885
US-20110059545-A1 TIME-TEMPERATURE INDICATOR BASED ON OLIGOMERIC SPIROAROMATICS CCND3, CCNT1, SCO2 ERN1 2191/4885KDM4E 4772/4885ALDH1A1 2009/4885
US-20030186975-A1 Coumarin derivatives with comt inhibiting activity COMT, CYP1A1, CYP2D6 ERN1 858/4885KDM4E 2539/4885ALDH1A1 85/4885

“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.