SCHEMBL480373

SCHEMBL480373

CC(C)(Cl)C(=O)c1ccc(C(Br)c2ccc(C(=O)C(C)(C)Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.35
MLYCD O95822 4/20 0.33
POLB P06746 2/20 0.32
NR1H4 Q96RI1 2/20 0.32
HPGD P15428 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C9 P11712 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL27645545 0.89 GSK3B (0.35) GSK3BMLYCDPOLBNR1H4HPGD
SCHEMBL4416120 0.88 MLYCD (0.34) GSK3BMLYCDNR1H4HPGDCA2
SCHEMBL480646 0.87 ACHE (0.36) GSK3BHPGDALDH1A1KMT2ALMNA
SCHEMBL27625178 0.87 MLYCD (0.36) GSK3BMLYCDPOLBNR1H4HPGD
SCHEMBL6019685 0.83 THRA (0.35) NR1H4KMT2ASMN1; SMN2CYP2C9MEN1
SCHEMBL6448136 0.82 ESR1 (0.41) MLYCDPOLBNR1H4HPGDALDH1A1
SCHEMBL10752558 0.82 CYP2C9 (0.47) POLBHPGDALDH1A1KMT2ALMNA
SCHEMBL4418071 0.82 CA2 (0.36) GSK3BMLYCDNR1H4HPGDCA2
SCHEMBL4427192 0.78 RARA (0.35) MLYCDALDH1A1KMT2ATSHRMEN1
SCHEMBL4421929 0.77 ALDH1A1 (0.48) HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411359-B1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2017-02-01 EP disclosed
EP-2411359-B1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2017-02-01 EP disclosed
US-8604251-B2 Oligofunctional photoinitiators BASF SE (DE) 2013-12-10 US disclosed
US-20120029107-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-02-02 US disclosed
US-20120029107-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-02-02 US disclosed
EP-2411359-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2012-02-01 EP disclosed
WO-2010108862-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2010-09-30 WO disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 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-20120029107-A1 NOVEL OLIGOFUNCTIONAL PHOTOINITIATORS CCNA1, CCNT1, TET1 GSK3B 2509/4885MLYCD 4663/4885POLB 537/4885

“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.