SCHEMBL20098009

SCHEMBL20098009

CC(=O)O/N=C(\C)c1ccc(Sc2ccc(C(=O)c3oc4ccccc4c3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 7/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.39
AHR P35869 1/20 0.39
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL16581244 1.00 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL17945819 0.87 KCNH2 (0.41) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL20098007 0.86 CYP2C9 (0.41) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL20098017 0.86 PTPN1 (0.51) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL17945814 0.85 CYP1A2 (0.40) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL16581049 0.85 PTPN1 (0.55) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL17945978 0.84 NPC1 (0.38) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL17946191 0.83 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL16581092 0.83 HDAC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL20412681 0.83 HDAC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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
EP-3044208-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-12-22 EP disclosed
US-10793555-B2 Oxime ester photoinitiators BASF SE (DE) 2020-10-06 US disclosed
US-20180208583-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2018-07-26 US disclosed
US-9957258-B2 Oxime ester photoinitiators BASF SE (DE) 2018-05-01 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 (2 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-10793555-B2 Oxime ester photoinitiators NR2E3, OXER1, CBR3 NPC1 3823/4885RAB9A 3515/4885MAPT 4764/4885
US-20180208583-A1 OXIME ESTER PHOTOINITIATORS NR2E3, OXER1, CBR3 NPC1 3823/4885RAB9A 3515/4885MAPT 4764/4885

“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.