SCHEMBL10128145

SCHEMBL10128145

CCC(C)c1cn2c(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nnc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
GGPS1 O95749 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PRKDC P78527 2/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
ADK P55263 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DRD4 P21917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL10128139 0.91 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2ADK
SCHEMBL10128131 0.85 ALOX5 (0.45) ALOX5GGPS1NPSR1PRKDCPTGES2
SCHEMBL10128138 0.85 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2ADK
SCHEMBL10128150 0.84 ALOX5 (0.39) ALOX5GGPS1NPSR1PRKDCPTGES2
SCHEMBL10128192 0.83 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL10128155 0.83 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2ADK
SCHEMBL10128147 0.83 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2ADK
SCHEMBL10128170 0.82 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2ADK
SCHEMBL10128142 0.81 ALOX5 (0.38) ALOX5GGPS1PRKDCADKPIK3CD
SCHEMBL10128166 0.81 ALOX5 (0.43) ALOX5GGPS1PRKDCPTGES2ADK

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 ALOX5 1457/4885GGPS1 3000/4885NPSR1 2321/4885

“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.