SCHEMBL3008104

SCHEMBL3008104

CC(C)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)C)ccc1S2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ DBH P09172 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PTGS2 P35354 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KMT2A Q03164 2/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYBB P04839 1/20 0.36
▸ APP P05067 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ NOX3 Q9HBY0 1/20 0.36
▸ NOX4 Q9NPH5 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36

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
SCHEMBL30564305 0.82 GAA (0.55) GAAKDM4EDBHRECQLOPRK1
SCHEMBL22245501 0.82 GAA (0.55) GAAKDM4EDBHRECQLOPRK1
SCHEMBL17559570 0.82 GAA (0.55) GAAKDM4EDBHRECQLOPRK1
SCHEMBL11869257 0.81 PTGS2 (0.36) GAAKDM4EDBHRECQLPTGS2
SCHEMBL14098255 0.76 KDM4E (0.43) GAAKDM4EDBHRECQL
SCHEMBL11858243 0.76 LMNA (0.36) PTGS2OPRK1PDE4DMAPTRAB9A
SCHEMBL19253135 0.76 KDM4E (0.49) GAAKDM4EDBHRECQLMAPT
SCHEMBL11863346 0.75 OPRK1 (0.36) KDM4EPTGS2OPRK1PDE4DMAPT
SCHEMBL19919810 0.74 KDM4E (0.55) GAAKDM4EDBHRECQLMAPT
SCHEMBL3328361 0.73 MAPT (0.39) GAAPTGS2OPRK1PDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102199119-B Oxime ester photoinitiators CIBA HOLDING INC 2014-07-16 — — CN disclosed
US-8586268-B2 Oxime ester photoinitiators BASF SE (DE) 2013-11-19 — — US disclosed
US-20100188765-A1 Oxime Ester Photoinitiators CIBA CORPORATION 2010-07-29 — — US disclosed
EP-1963374-B1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2010-02-17 — — EP disclosed
EP-1963374-A1 OXIME ESTER PHOTOINITIATORS Ciba Holding Inc. (CH) 2008-09-03 — — EP disclosed
WO-2007071497-A1 OXIME ESTER PHOTOINITIATORS CIBA HOLDING INC. (CH) 2007-06-28 — — 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 (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-20100188765-A1 Oxime Ester Photoinitiators NR2E3, CYP3A4, CHRM4 GAA 4700/4885KDM4E 856/4885DBH 1447/4885

“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.

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