SCHEMBL866321

SCHEMBL866321

O=C(C=Cc1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1)OCCCCCCOC(=O)c1cc([N+](=O)[O-])c(OCCCCCCOC(=O)C=Cc2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.40
CA9 Q16790 7/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
ESR1 P03372 1/20 0.39
ABCB1 P08183 4/20 0.37
ABCC1 P33527 4/20 0.37
ABCG2 Q9UNQ0 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
PLA2G4B P0C869 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MAOB P27338 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
SCHEMBL866320 1.00 CA12 (0.40) CA12CA9CA1CA2CA4
SCHEMBL5019478 0.96 CA12 (0.39) CA12CA9CA1CA2CA4
SCHEMBL10195646 0.95 MAOB (0.41) CA12CA9CA1CA2CA4
SCHEMBL14019149 0.95 CA12 (0.39) CA12CA9CA1CA2CA4
SCHEMBL679261 0.94 CA12 (0.43) CA12CA9CA1CA2CA4
SCHEMBL679803 0.90 ALOX5 (0.41) CA12CA9CA1CA2CA4
SCHEMBL867176 0.90 ALOX5 (0.41) CA12CA9CA1CA2CA4
SCHEMBL865841 0.86 ABCG2 (0.39) CA12CA9CA1CA2CA4
SCHEMBL865842 0.86 ABCG2 (0.39) CA12CA9CA1CA2CA4
SCHEMBL864566 0.85 CA12 (0.38) CA12CA9CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
EP-1966119-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-10-19 EP disclosed
US-8557922-B2 Photocrosslinkable materials ROLIC AG (CH) 2013-10-15 US disclosed
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2013-01-03 US disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-8173749-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-05-08 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
EP-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2305632-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
EP-2305631-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-06 EP disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
EP-2144951-A1 THERMALLY STABLE ALIGNMENT MATERIALS Rolic AG (CH) 2010-01-20 EP disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
WO-2008135131-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2008-11-13 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 EP 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 (4 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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD CA12 1753/4885CA9 1200/4885CA1 705/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CA12 1753/4885CA9 1200/4885CA1 705/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CA12 1753/4885CA9 1200/4885CA1 705/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 CA12 744/4885CA9 330/4885CA1 233/4885

“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.