SCHEMBL4430370

SCHEMBL4430370

CC(C)(Br)C(=O)c1ccc(Cc2cccc(C(=O)C(C)(C)Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PLA2G2A P14555 2/20 0.42
PLA2G10 O15496 1/20 0.42
CYP2D6 P10635 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ACHE P22303 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
SCHEMBL480610 0.89 LMNA (0.45) LMNAHDAC1HDAC6KMT2ACA1
SCHEMBL1852520 0.87 LMNA (0.46) LMNAHDAC1HDAC6KMT2ACA1
SCHEMBL4418249 0.86 KMT2A (0.56) LMNAHDAC1HDAC6KMT2ANR1H4
SCHEMBL13930174 0.81 LMNA (0.41) LMNAHDAC1HDAC6KMT2ACA1
SCHEMBL15197912 0.80 CYP2D6 (0.46) LMNAHDAC1HDAC6CA1CA2
SCHEMBL19971919 0.76 LMNA (0.39) LMNAHDAC1HDAC6KMT2ACA1
SCHEMBL31393489 0.75 LMNA (0.44) LMNAHDAC1HDAC6KMT2ACA1
SCHEMBL10946280 0.75 LMNA (0.59) LMNAKMT2APLA2G2APLA2G10HNF4A
SCHEMBL1296450 0.74 CA1 (0.63) LMNACA1CA2CA9PRSS1
SCHEMBL23928101 0.74 LMNA (0.37) LMNAHDAC1HDAC6KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442005-B1 NOVEL DIFUNCTIONAL PHOTOINITIATORS CIBA HOLDING INC (CH) 2009-03-18 EP disclosed
US-20060209098-A1 Radiation curable ink-jet ink containing an alpha hydroxy ketone as photoinitiator FUCHS ANDRE 2006-09-21 US disclosed
US-7084183-B2 Difunctional photoinitiators CIBA SPECIALTY CHEMCIALS CORP. (US) 2006-08-01 US disclosed
CN-1771308-A Radiation curable inkjet inks containing alpha-hydroxy ketones as photoinitiators CIBA SC HOLDING AG (CH) 2006-05-10 CN disclosed
CN-1249009-C Novel bifunctional photoinitiators CIBA SC HOLDING AG (CH) 2006-04-05 CN disclosed
EP-1613706-A1 RADIATION CURABLE INK-JET INK CONTAINING AN ALPHA HYDROXY KETONE AS PHOTOINITIATOR Ciba SC Holding AG (CH) 2006-01-11 EP disclosed
CN-1582267-A Novel bifunctional photoinitiators CIBA SC HOLDING AG (CH) 2005-02-16 CN disclosed
US-20050004249-A1 Novel disfunctional photoinitiators IGM GROUP B.V. (NL) 2005-01-06 US disclosed
WO-2004092287-A1 RADIATION CURABLE INK-JET INK CONTAINING AN ALPHA HYDROXY KETONE AS PHOTOINITIATOR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-10-28 WO disclosed
EP-1442005-A2 NOVEL DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
WO-2003040076-A2 NOVEL DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-15 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-20050004249-A1 Novel disfunctional photoinitiators ETFA, ETFB, PAH LMNA 2221/4885HDAC1 959/4885HDAC6 1726/4885

“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.