SCHEMBL10127367

SCHEMBL10127367

CCCCc1ccc2sc3c(-c4ccc(-c5nnc6c7ccccc7c7ccccc7n56)cc4)cc(CCCC)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HSD11B1 P28845 4/20 0.39
PSMB5 P28074 1/20 0.36
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.32
FDFT1 P37268 2/20 0.32
ALDH1A1 P00352 2/20 0.31
PGR P06401 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
SCHEMBL10127358 0.94 POLB (0.41) POLBHSD11B1MAPTTP53ALDH1A1
SCHEMBL10127356 0.89 POLB (0.42) POLBRORARORCRORBMAPT
SCHEMBL10127436 0.86 HSD11B1 (0.39) POLBHSD11B1PSMB5RORARORC
SCHEMBL10149290 0.85 POLB (0.41) POLBMAPTTP53ALDH1A1
SCHEMBL10127369 0.84 POLB (0.40) POLBMAPTTP53ALDH1A1
SCHEMBL16715961 0.83 POLB (0.35) POLB
SCHEMBL10127344 0.82 POLB (0.44) POLBMAPTTP53ALDH1A1
SCHEMBL10127926 0.81 HSD11B1 (0.39) HSD11B1PSMB5
SCHEMBL10127545 0.81 POLB (0.39) POLBHSD11B1PSMB5RORARORC
SCHEMBL10127433 0.81 ALOX5 (0.39) POLBHSD11B1RORARORCRORB

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 3317/4885HSD11B1 3797/4885PSMB5 2990/4885

“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.