SCHEMBL10128655

SCHEMBL10128655

CC1(C)c2cc(I)ccc2-c2ccc(-c3nnc4c5ccccc5c5ccccc5n34)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 3/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
TYMS P04818 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 2/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 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
SCHEMBL10128895 0.90 POLB (0.42) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10128657 0.88 POLB (0.46) POLBALDH1A1KDM4EHPGDNPC1
SCHEMBL10128659 0.87 POLB (0.45) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10128470 0.87 POLB (0.49) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10127709 0.86 POLB (0.48) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10128708 0.85 POLB (0.39) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10128898 0.81 POLB (0.41) POLBLMNA
SCHEMBL10127521 0.80 POLB (0.45) POLBALDH1A1KDM4EHPGD
SCHEMBL10127345 0.80 POLB (0.45) POLBALDH1A1KDM4EHPGDMAPT
SCHEMBL10128853 0.80 POLB (0.42) 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 3317/4885ALDH1A1 1032/4885KDM4E 2008/4885

“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.