SCHEMBL2806261

SCHEMBL2806261

O=C(O)CCCc1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
CYP1A2 P05177 5/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2D6 P10635 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL2955108 0.96 KMT2A (0.67) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL3257808 0.96 KMT2A (0.67) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL4634463 0.96 KMT2A (0.67) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL29834154 0.86 KMT2A (0.79) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL2962696 0.86 KMT2A (0.79) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL5416769 0.85 KMT2A (0.54) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL5326460 0.84 KMT2A (0.59) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL29441770 0.84 KMT2A (1.00) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL113945 0.84 KMT2A (1.00) KMT2AMEN1CYP1A2ALDH1A1CYP2D6
SCHEMBL29385360 0.84 KMT2A (1.00) KMT2AMEN1CYP1A2ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010274-B2 Systems, devices and methods for in situ calibration of implantable sensors WINKELMAN JAMES (US) 2018-07-03 US disclosed
US-20160073940-A1 Systems, Devices And Methods For In Situ Calibration Of Implantable Sensors WINKELMAN JAMES (US) 2016-03-17 US disclosed
US-20140371553-A1 SYSTEMS, DEVICES AND METHODS FOR IN SITU CALIBRATION OF IMPLANTABLE SENSORS Winkelman, James (US) 2014-12-18 US disclosed
US-8475685-B2 Particle and near-field optical waveguide KABUSHIKI KAISHA TOSHIBA (JP) 2013-07-02 US disclosed
WO-2013090882-A1 SYSTEMS, DEVICES AND METHODS FOR IN SITU CALIBRATION OF IMPLANTABLE SENSORS WINKELMAN JAMES (US) 2013-06-20 WO disclosed
US-8224410-B2 Dermally affixed sensor device PHARMASENS AG (CH) 2012-07-17 US disclosed
US-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-23 US disclosed
US-7772153-B2 Separating agent for enantiomeric isomers DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-10 US disclosed
US-7772402-B2 Optically detectable organophosphonates AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2010-08-10 US disclosed
CN-100591265-C Skin-adhering sensor device PAUL HADVARY 2010-02-24 CN disclosed
US-20090258422-A1 OPTICALLY DETECTABLE ORGANOPHOSPHONATES AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2009-10-15 US disclosed
US-7601845-B2 Optically detectable organophosphonates AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2009-10-13 US disclosed
EP-1706019-B1 DERMALLY AFFIXED SENSOR DEVICE HADVARY PAUL (CH) 2008-09-17 EP disclosed
US-20080027296-A1 Dermally Affixed Sensor Device PHARMASENS AG (CH) 2008-01-31 US disclosed
CN-1976627-A Skin-adhering sensor device HADVARY PAUL (CH) 2007-06-06 CN disclosed
EP-1706019-A1 DERMALLLY AFFIXED SENSOR DEVICE Hadváry, Paul (CH) 2006-10-04 EP disclosed
US-20060189796-A1 Separating agent for enantiomeric isomers DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-24 US disclosed
US-20060134715-A1 Optically detectable organophosphonates AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) 2006-06-22 US disclosed
WO-2005063115-A1 DERMALLLY AFFIXED SENSOR DEVICE HADVARY PAUL (CH) 2005-07-14 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 (4 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-20060189796-A1 Separating agent for enantiomeric isomers GNE, SI, EPHX2 KMT2A 3806/4885MEN1 1877/4885CYP1A2 1532/4885
US-20090258422-A1 OPTICALLY DETECTABLE ORGANOPHOSPHONATES LYPLA1, CES1, LIPE KMT2A 4771/4885MEN1 1535/4885CYP1A2 1292/4885
US-20060134715-A1 Optically detectable organophosphonates LYPLA1, CES1, LIPE KMT2A 4771/4885MEN1 1535/4885CYP1A2 1292/4885
US-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE F2, AHR, CRY1 KMT2A 3351/4885MEN1 3177/4885CYP1A2 35/4885

“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.