SCHEMBL889642

SCHEMBL889642

CCCCc1ccc2oc3c(-c4ccc(-c5nnc(-c6ccccc6)n5-c5ccccc5)cc4)cc(CCCC)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.47
PSMB5 P28074 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
UCHL3 P15374 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
AVPR1A P37288 1/20 0.38
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL889671 0.94 SMN1; SMN2 (0.42) HSD11B1PSMB5SMN1; SMN2HPGDUCHL3
SCHEMBL889664 0.88 SMN1; SMN2 (0.44) HSD11B1SMN1; SMN2HPGDL3MBTL1AVPR1A
SCHEMBL8281398 0.85 PSMB5 (0.44) HSD11B1PSMB5SMN1; SMN2HPGDTSHR
SCHEMBL889729 0.83 SMN1; SMN2 (0.40) SMN1; SMN2HPGDL3MBTL1AVPR1ATSHR
SCHEMBL13231846 0.82 HSD11B1 (0.46) HSD11B1SMN1; SMN2HPGDUCHL3L3MBTL1
SCHEMBL10127545 0.81 POLB (0.39) HSD11B1PSMB5CYP1A2CYP2D6CYP2C19
SCHEMBL10128078 0.80 HSD11B1 (0.38) HSD11B1PSMB5CYP1A2CYP2D6CYP2C19
SCHEMBL889706 0.79 HSD11B1 (0.48) HSD11B1PSMB5SMN1; SMN2HPGDUCHL3
SCHEMBL889806 0.79 AVPR1A (0.44) SMN1; SMN2HPGDL3MBTL1AVPR1ATSHR
SCHEMBL889730 0.79 AVPR1A (0.46) SMN1; SMN2HPGDL3MBTL1AVPR1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9806268-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-31 US disclosed
US-9806268-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-10-31 US disclosed
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-29 US disclosed
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-29 US disclosed
US-9359335-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-07 US disclosed
US-9359335-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-07 US disclosed
US-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-16 US disclosed
US-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-07-16 US disclosed
US-8993125-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-8993125-B2 Triazole derivative, and light-emitting element, light-emitting device, electronic device and lighting device using the triazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-11-24 US disclosed
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2011-11-24 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 (3 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-20150197508-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 HSD11B1 678/4885PSMB5 1981/4885SMN1; SMN2 4709/4885
US-20110285276-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, CYP1A1 HSD11B1 634/4885PSMB5 1966/4885SMN1; SMN2 4747/4885
US-20160285005-A1 Triazole Derivative, and Light-Emitting Element, Light-Emitting Device, Electronic Device and Lighting Device Using the Triazole Derivative DRD3, DRD1, GRK1 HSD11B1 678/4885PSMB5 1981/4885SMN1; SMN2 4709/4885

“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.