SCHEMBL17883140

SCHEMBL17883140

CC(C)c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc4c(=O)c5ccccc5sc4c3)cc1)c1ccccc1-c1ccccc1O2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NR1H3 Q13133 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
SCHEMBL17850861 0.93 KDM4E (0.32) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL17850971 0.90 KDM4E (0.36) PDE6DNPC1RAB9AL3MBTL1KDM4E
SCHEMBL17850862 0.85 PDE6D (0.32) PDE6DNPC1RAB9AL3MBTL1KDM4E
SCHEMBL17850864 0.85 NPC1 (0.39) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL17752278 0.83
SCHEMBL17850968 0.81 KDM4E (0.39) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL19176015 0.80
SCHEMBL17883142 0.79 PTGER4 (0.39) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL17850969 0.78 CDK8 (0.34) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL17850863 0.77 KDM4E (0.33) NPC1RAB9AL3MBTL1KDM4EALDH1A1

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 4 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

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 1145/4885NPC1 3146/4885RAB9A 4082/4885

“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.