SCHEMBL17883141

SCHEMBL17883141

CC(C)c1ccc2c(c1)-c1ccccc1N(c1ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc1)c1ccccc1-c1ccccc1S2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
ATM Q13315 1/20 0.38
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HCRTR1 O43613 1/20 0.37
MAOA P21397 3/20 0.34
PTGER4 P35408 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL17850865 0.93 PTGER4 (0.39) NPC1RAB9ATNKSPARP1TNKS2
SCHEMBL17850855 0.90 NPC1 (0.45) NPC1RAB9AATMHCRTR1MAOA
SCHEMBL17850862 0.85 PDE6D (0.32) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL17850864 0.85 NPC1 (0.39) NPC1RAB9AATMTNKSPARP1
SCHEMBL17752253 0.83 NPC1 (0.36) NPC1RAB9AATMTNKSPARP1
SCHEMBL17850856 0.81 PTGER4 (0.46) NPC1RAB9AHCRTR1MAOAPTGER4
SCHEMBL17850863 0.79 KDM4E (0.33) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL17850857 0.78 PTGER4 (0.41) NPC1RAB9AHDAC6MAOAPTGER4
SCHEMBL17883142 0.77 PTGER4 (0.39) NPC1RAB9ATNKSPARP1TNKS2
SCHEMBL17850950 0.77 NPC1 (0.46) NPC1RAB9AATMHCRTR1MAOA

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 NPC1 3146/4885RAB9A 4082/4885ATM 3303/4885

“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.