SCHEMBL10127372

SCHEMBL10127372

CC(C)(C)c1ccc2sc3c(-c4ccc(-c5nnc6c7ccccc7c7ccccc7n56)cc4)cc(C(C)(C)C)cc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HIF1A Q16665 1/20 0.32
PDE2A O00408 1/20 0.32
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
MAPT P10636 3/20 0.31
RAB9A P51151 3/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK14 Q16539 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
SCHEMBL10127397 0.91 POLB (0.40) POLBTNKSTNKS2ALDH1A1KDM4E
SCHEMBL10127447 0.85 ALOX5 (0.41) POLBTNKSTNKS2ALDH1A1KDM4E
SCHEMBL10127344 0.84 POLB (0.44) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10127413 0.82 POLB (0.43) POLBTNKSTNKS2ALDH1A1KDM4E
SCHEMBL10127388 0.82 POLB (0.47) POLBALDH1A1KDM4EHPGDPDE2A
SCHEMBL10127377 0.82 POLB (0.47) POLBALDH1A1KDM4EHPGDPDE2A
SCHEMBL10127356 0.82 POLB (0.42) POLBALDH1A1KDM4EPDE2APGR
SCHEMBL10127392 0.81 POLB (0.46) POLBALDH1A1KDM4EHPGDPDE2A
SCHEMBL10127359 0.81 POLB (0.41) POLBALDH1A1KDM4EHPGDRORA
SCHEMBL10127390 0.80 POLB (0.47) POLBALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
US-9034486-B2 Triazole derivative, heterocyclic compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD (JP) 2015-05-19 US disclosed
WO-2012017842-A1 TRIAZOLE DERIVATIVE, HETEROCYCLIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-02-09 WO disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 US disclosed
US-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-02-02 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-20120025697-A1 Triazole Derivative, Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device HTR3D, KCNQ4, KCNQ3 POLB 3317/4885TNKS 1422/4885TNKS2 2010/4885

“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.