SCHEMBL9947795

SCHEMBL9947795

c1ccc(N(c2ccccc2)c2cccc(B3OCCO3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL20312380 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL7297448 0.77
SCHEMBL1702390 0.76 LIPG (0.50) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL23781315 0.76 LIPG (0.50) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL476956 0.76 LPL (0.35) ALDH1A1TDP1
SCHEMBL13636789 0.76 APP (0.39)
SCHEMBL14983389 0.76 MAOA (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15553523 0.75 LIPG (0.49) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL20312461 0.74 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL13855286 0.72 KDM4E (0.33) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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-9508941-B2 Light-emitting elements comprising iridium organometallic complexes comprising aryl-substituted pyrazines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-29 US disclosed
US-9508941-B2 Light-emitting elements comprising iridium organometallic complexes comprising aryl-substituted pyrazines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-29 US disclosed
US-9508941-B2 Light-emitting elements comprising iridium organometallic complexes comprising aryl-substituted pyrazines SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-29 US disclosed
US-20140256934-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256934-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256934-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-09-11 US disclosed
US-8735581-B2 Organometallic complex, light-emitting element, light-emitting device, and electronic device including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-27 US disclosed
US-8735581-B2 Organometallic complex, light-emitting element, light-emitting device, and electronic device including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-27 US disclosed
US-8735581-B2 Organometallic complex, light-emitting element, light-emitting device, and electronic device including the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-27 US disclosed
US-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US 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 (1 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-20120165523-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, and Electronic Device Including the Organometallic Complex CCNE2, CDK2, CDK20 ALDH1A1 663/4885L3MBTL1 1464/4885KDM4E 2068/4885

“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.