SCHEMBL10128057

SCHEMBL10128057

CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2ccc(-c3nnc4c5ccccc5ccn34)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
PRKDC P78527 3/20 0.36
PTGES2 Q9H7Z7 1/20 0.33
GGPS1 O95749 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 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
SCHEMBL10128063 0.91 ALOX5 (0.41) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128062 0.89 ALOX5 (0.40) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128032 0.87 ALOX5 (0.45) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128036 0.86 ALOX5 (0.46) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128051 0.86 ALOX5 (0.44) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128029 0.85 ALOX5 (0.44) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128046 0.84 ALOX5 (0.46) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128044 0.84 ALOX5 (0.43) ALOX5PRKDCPTGES2GGPS1PIK3CD
SCHEMBL10128184 0.83 ALOX5 (0.41) ALOX5PRKDCPTGES2GGPS1
SCHEMBL10128120 0.83

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 4 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

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 ALOX5 1457/4885PRKDC 2900/4885PTGES2 1949/4885

“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.