SCHEMBL10128078

SCHEMBL10128078

CCCCc1ccc2oc3c(-c4ccc(-c5nnc6c7ccccc7ccn56)cc4)cc(CCCC)cc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
PSMB5 P28074 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CXCR4 P61073 1/20 0.33
CMKLR1 Q99788 1/20 0.33
PTAFR P25105 1/20 0.32
PTPN1 P18031 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
SCHEMBL10128073 0.95 RAB9A (0.33) HSD11B1SIRT2SIRT1CYP1A2CYP2D6
SCHEMBL10128074 0.89 MAPT (0.34) SIRT2SIRT1
SCHEMBL10148819 0.86 MAPT (0.34) SIRT2SIRT1CXCR4CMKLR1PTPN1
SCHEMBL10128081 0.85 IKBKE (0.31)
SCHEMBL16715964 0.84
SCHEMBL10127926 0.81 HSD11B1 (0.39) HSD11B1PSMB5PTAFR
SCHEMBL10127545 0.81 POLB (0.39) HSD11B1PSMB5CYP1A2CYP2D6CYP2C19
SCHEMBL10128065 0.81 MAPT (0.38) SIRT2SIRT1
SCHEMBL10128098 0.81 MAPT (0.34) SIRT2SIRT1CYP1A2CYP2C19
SCHEMBL10128111 0.80 MAPT (0.33) SIRT2SIRT1CYP1A2CYP2C19

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 3 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
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 HSD11B1 3797/4885PSMB5 2990/4885SIRT2 2521/4885

“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.