SCHEMBL10128081

SCHEMBL10128081

CC(C)Cc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CC(C)C)cc3c2c1

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
MAPT P10636 1/20 0.30
DHODH Q02127 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL10128074 0.88 MAPT (0.34) ALDH1A1KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL10128073 0.86 RAB9A (0.33) ALDH1A1KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL10128078 0.85 HSD11B1 (0.38)
SCHEMBL10148819 0.85 MAPT (0.34) ALDH1A1KDM4ERAB9ASMN1; SMN2GLA
SCHEMBL10128077 0.83 TNKS (0.32) TBK1ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL10128065 0.82 MAPT (0.38) ALDH1A1KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL10128084 0.81 NPSR1 (0.31) ALDH1A1KDM4EHSD17B10RAB9ASMN1; SMN2
SCHEMBL10127927 0.81 PRKDC (0.31) ALDH1A1MAPTDHODH
SCHEMBL10127546 0.81 POLB (0.40) ALDH1A1MAPT
SCHEMBL10128115 0.81 MAPT (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2GLA

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 IKBKE 1315/4885TBK1 367/4885ALDH1A1 1032/4885

“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.