SCHEMBL17850971

SCHEMBL17850971

O=c1c2ccccc2sc2cc(-c3ccc(N4c5ccccc5-c5ccccc5Oc5ccccc5-c5ccccc54)cc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
PDE6D O43924 1/20 0.35
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
RAB9A P51151 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
NPC1 O15118 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CDK8 P49336 1/20 0.33
PRKDC P78527 1/20 0.32
MAOB P27338 3/20 0.32
MAOA P21397 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 3/20 0.30
HCRTR1 O43613 1/20 0.30
LMNA P02545 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
SCHEMBL17850968 0.91 KDM4E (0.39) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL17883140 0.90 PDE6D (0.31) KDM4EPDE6DALDH1A1MAPTRAB9A
SCHEMBL17850969 0.87 CDK8 (0.34) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL17850976 0.85 KDM4E (0.36) KDM4EPDE6DALDH1A1MAPTRAB9A
SCHEMBL17752267 0.84 KDM4E (0.34) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL17850950 0.81 NPC1 (0.46) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL19319615 0.81 KDM4E (0.42) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL17850861 0.81 KDM4E (0.32) KDM4EALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL17752269 0.80 KDM4E (0.36) KDM4EPDE6DALDH1A1MAPTRAB9A
SCHEMBL19175873 0.80 KDM4E (0.31) KDM4ERAB9AL3MBTL1NPC1

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 KDM4E 2784/4885PDE6D 1145/4885ALDH1A1 269/4885

“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.