SCHEMBL480464

SCHEMBL480464

CC(C)(O)C(=O)c1ccc(C(OC(=O)c2ccc(C(=O)OC(c3ccc(C(=O)C(C)(C)O)cc3)c3ccc(C(=O)C(C)(C)O)cc3)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA7 P43166 2/20 0.41
ELANE P08246 2/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
FASN P49327 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
UTS2R Q9UKP6 3/20 0.34

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
SCHEMBL10067693 0.93 ESR1 (0.45) ESR1ESR2PDCD1CD274CA12
SCHEMBL18435199 0.91 ESR1 (0.44) ESR1ESR2PDCD1CD274CA12
SCHEMBL10067694 0.89 ESR1 (0.45) ESR1ESR2PDCD1CD274CA12
SCHEMBL4418991 0.86 ELANE (0.37) ESR1ESR2CA12CA1CA2
SCHEMBL4418465 0.84 MLYCD (0.36) ESR1ESR2CA2ELANEFASN
SCHEMBL4415869 0.83 ELANE (0.38) ESR1ESR2CA12CA1CA2
SCHEMBL3088741 0.82 SRC (0.37) ESR1ESR2CA2ELANETSHR
Methoxymethane SCHEMBL4418025 0.81 SRC (0.36) ESR1ESR2CA2ELANETSHR
SCHEMBL15648878 0.80 ESR1 (0.42) ESR1ESR2TSHRMAPTNPC1
SCHEMBL4425744 0.79 MLYCD (0.37) PDCD1CD274CA12CA1CA2

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 7 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
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

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 ESR1 822/4885ESR2 2609/4885PDCD1 3408/4885

“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.