SCHEMBL17850862

SCHEMBL17850862

CC(C)c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc4c(=O)c5ccccc5sc4c3)cc1)c1ccccc1-c1ccccc1S2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H3 Q13133 1/20 0.30
PTGS2 P35354 1/20 0.30
OPRK1 P41145 1/20 0.30
PDE4D Q08499 1/20 0.30
ADRA1B P35368 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
SCHEMBL17850863 0.93 KDM4E (0.33) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17850976 0.89 KDM4E (0.36) PDE6DKDM4ENPC1ALDH1A1MAPT
SCHEMBL17883141 0.85 NPC1 (0.38) PDE6DKDM4ENPC1ALDH1A1MAPT
SCHEMBL17883140 0.85 PDE6D (0.31) PDE6DKDM4ENPC1ALDH1A1MAPT
SCHEMBL17752275 0.83
SCHEMBL17850978 0.81 KDM4E (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19176040 0.81
SCHEMBL17850865 0.79 PTGER4 (0.39) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17850979 0.78 HDAC6 (0.35) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17850861 0.77 KDM4E (0.32) KDM4ENPC1ALDH1A1MAPTRAB9A

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-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 US disclosed
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
EP-3171421-A1 ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2017-05-24 EP disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
EP-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP 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-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA PDE6D 1145/4885KDM4E 2784/4885NPC1 3146/4885

“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.