SCHEMBL10067693

SCHEMBL10067693

CC(C)(O)C(=O)c1ccc(C(OC(=O)c2cc(C(=O)OC(c3ccc(C(=O)C(C)(C)O)cc3)c3ccc(C(=O)C(C)(C)O)cc3)cc(C(=O)OC(c3ccc(C(=O)C(C)(C)O)cc3)c3ccc(C(=O)C(C)(C)O)cc3)c2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ELANE P08246 1/20 0.35
FASN P49327 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MLYCD O95822 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL480464 0.93 ESR1 (0.51) ESR1ESR2CA2CA12CA1
SCHEMBL10067694 0.92 ESR1 (0.45) ESR1ESR2CA2CA12CA1
SCHEMBL18435199 0.85 ESR1 (0.44) ESR1ESR2CA2CA12CA1
SCHEMBL4418991 0.83 ELANE (0.37) ESR1ESR2CA2CA12CA1
SCHEMBL4418465 0.81 MLYCD (0.36) ESR1ESR2CA2ELANEFASN
SCHEMBL4415869 0.81 ELANE (0.38) ESR1ESR2CA2CA12CA1
SCHEMBL3088741 0.80 SRC (0.37) ESR1ESR2CA2ELANEMLYCD
Methoxymethane SCHEMBL4418025 0.78 SRC (0.36) ESR1ESR2CA2ELANEMLYCD
SCHEMBL15648878 0.77 ESR1 (0.42) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL4425744 0.77 MLYCD (0.37) CA2CA12CA1CA7CA9

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 4 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-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
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 2609/4885CA2 4163/4885

“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.