SCHEMBL16581069

SCHEMBL16581069

CC(=O)c1ccc(Sc2ccc(-c3c(C(=O)c4ccccc4)oc4ccccc34)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.64
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
MAPT P10636 7/20 0.51
NPC1 O15118 4/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
AHR P35869 1/20 0.44
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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 0.85 PTPN1 (0.55) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL16581087 0.83 PTPN1 (0.52) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL24113970 0.83 PTPN1 (0.52) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL20098017 0.82 PTPN1 (0.51) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL20412680 0.81 PTPN1 (0.50) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL11736619 0.79 PTPN1 (0.97) PTPN1ALDH1A1MAPTNPC1KMT2A
SCHEMBL7504805 0.78 PTPN1 (1.00) PTPN1ALDH1A1MAPTNPC1KMT2A
SCHEMBL11732549 0.78 PTPN1 (0.70) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL11672606 0.77 PTPN1 (0.89) PTPN1ALDH1A1HPGDMAPTNPC1
SCHEMBL13398131 0.76 HPGD (0.81) ALDH1A1HPGDMAPTNPC1KMT2A

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 9 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-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
US-9957258-B2 Oxime ester photoinitiators BASF SE (DE) 2018-05-01 US disclosed
US-20160214966-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2016-07-28 US disclosed
US-20160214966-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2016-07-28 US disclosed
WO-2015036910-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2015-03-19 WO 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 (3 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 1262/4885ALDH1A1 929/4885HPGD 1459/4885
US-20180208583-A1 OXIME ESTER PHOTOINITIATORS NR2E3, OXER1, CBR3 PTPN1 1262/4885ALDH1A1 929/4885HPGD 1459/4885
US-20160214966-A1 OXIME ESTER PHOTOINITIATORS OCIAD1, OCIAD2, OXER1 PTPN1 1454/4885ALDH1A1 854/4885HPGD 406/4885

“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.