SCHEMBL8510580

SCHEMBL8510580

Cc1ccccc1-n1nc(C(C)C)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.44
ALOX15 P16050 2/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL29533750 0.80 ALDH1A1 (0.56) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL461814 0.80 ALDH1A1 (0.56) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL28868616 0.79 ALDH1A1 (0.54) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL29462009 0.79 ALDH1A1 (0.54) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL30317717 0.79 ALDH1A1 (0.54) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL8511458 0.75 ALDH1A1 (0.50) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL8512156 0.73 USP2 (0.49) ALDH1A1TSHRPOLBMAPTNPC1
SCHEMBL8512480 0.70 ALDH1A1 (0.56) ALDH1A1TSHRPOLBALOX15MAPT
SCHEMBL14118409 0.69 ALDH1A1 (0.50) ALDH1A1TSHRPOLBMAPTL3MBTL1
SCHEMBL23402382 0.69 ALDH1A1 (0.45) ALDH1A1TSHRPOLBALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666825-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-05-30 US disclosed
US-9666825-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-05-30 US disclosed
US-20160293877-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-10-06 US disclosed
US-20160293877-A1 Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-10-06 US disclosed
WO-2012070596-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-31 WO disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
WO-2012070596-A1 ORGANOMETALLIC COMPLEX, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-05-31 WO disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 US disclosed
US-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-31 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-20120133273-A1 Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device LAGE3, CRY1, CYBA ALDH1A1 379/4885TSHR 3302/4885POLB 2396/4885

“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.