SCHEMBL480646

SCHEMBL480646

CC(C)(Cl)C(=O)c1ccc(C(Br)c2cccc(C(=O)C(C)(C)Cl)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
PMP22 Q01453 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCL8 P10145 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL480373 0.87 GSK3B (0.35) SMN1; SMN2LMNAALDH1A1HPGDHSD17B10
SCHEMBL27645545 0.77 GSK3B (0.35) SMN1; SMN2LMNAALDH1A1HPGDHSD17B10
SCHEMBL4416120 0.77 MLYCD (0.34) ALDH1A1HPGDHSD17B10GSK3B
SCHEMBL27625178 0.76 MLYCD (0.36) SMN1; SMN2LMNAALDH1A1HPGDMEN1
SCHEMBL6019685 0.72 THRA (0.35) SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL6448136 0.72 ESR1 (0.41) SMN1; SMN2LMNAALDH1A1HPGDHIF1A
SCHEMBL4418071 0.72 CA2 (0.36) ALDH1A1HPGDHSD17B10HIF1AGSK3B
SCHEMBL10752558 0.72 CYP2C9 (0.47) SMN1; SMN2MAPTLMNAKDM4EALDH1A1
SCHEMBL1445897 0.71 CES1 (0.54) SMN1; SMN2MAPTRECQLKDM4EALDH1A1
SCHEMBL4420966 0.70 CA1 (0.44) ACHEPTGS1PTGS2SMN1; SMN2MAPT

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 5 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
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
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

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 ACHE 3739/4885PTGS1 1014/4885PTGS2 2097/4885

“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.