SCHEMBL20098017

SCHEMBL20098017

CC(=O)O/N=C(\C)c1ccc(Sc2ccc(C(=O)c3oc4ccccc4c3-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
MAPT P10636 6/20 0.42
NPC1 O15118 4/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.39
POLB P06746 1/20 0.39
AHR P35869 1/20 0.39
MBNL1 Q9NR56 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 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
SCHEMBL16581049 0.97 PTPN1 (0.55) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL16581087 0.91 PTPN1 (0.52) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL20098009 0.86 NPC1 (0.44) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL16581244 0.86 NPC1 (0.44) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL20412680 0.85 PTPN1 (0.50) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL24113970 0.84 PTPN1 (0.52) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL16581096 0.84 PTPN1 (0.43) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL20098007 0.84 CYP2C9 (0.41) MAPTNPC1KMT2ASMN1; SMN2RAB9A
SCHEMBL16581069 0.82 PTPN1 (0.64) PTPN1MAPTNPC1KMT2ASMN1; SMN2
SCHEMBL9962632 0.77 HPGD (0.59) MAPTNPC1SMN1; SMN2RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 1262/4885MAPT 4764/4885NPC1 3823/4885
US-20180208583-A1 OXIME ESTER PHOTOINITIATORS NR2E3, OXER1, CBR3 PTPN1 1262/4885MAPT 4764/4885NPC1 3823/4885

“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.