SCHEMBL2288161

SCHEMBL2288161

[O]C(=O)OC1CCCCCC(=O)OC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
EPHX1 P07099 2/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
ATM Q13315 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 2/20 0.30
CASP1 P29466 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2281587 0.86 CYP2D6 (0.35) CYP2D6
SCHEMBL12883933 0.74 CYP2D6 (0.40) CYP2D6ATMCYP2C19CASP1CYP3A4
SCHEMBL1463408 0.73 EPHX1 (0.52) EPHX1CA1CA9MMP1MMP9
SCHEMBL121264 0.73 EPHX1 (0.52) EPHX1CA1CA9MMP1MMP9
SCHEMBL7980872 0.73 EPHX1 (0.52) EPHX1CA1CA9MMP1MMP9
SCHEMBL1462696 0.73 EPHX1 (0.52) EPHX1CA1CA9MMP1MMP9
SCHEMBL12837581 0.73 CYP2D6 (0.42) CYP2D6ATMKMT2ACYP2C19CASP1
SCHEMBL23054136 0.72 CYP2D6 (0.37) CYP2D6CA1CA9ATM
SCHEMBL2281942 0.72 EPHX1 (0.40) EPHX1CA1CA9SMN1; SMN2CYP2C19
SCHEMBL9191234 0.71 CA1 (0.46) EPHX1CA1CA9ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994273-B2 Photoactive materials ROLIC AG (CH) 2011-08-09 US claimed
US-7750185-B2 Photoactive materials ROLIC AG (CH) 2010-07-06 US claimed
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked ROLIC AG (CH) 2005-12-29 US claimed
EP-1386910-A1 Photoactive materials Rolic AG (CH) 2004-02-04 EP claimed
US-8436132-B2 Photoactive materials ROLIC AG (CH) 2013-05-07 US disclosed
US-20110236602-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2011-09-29 US disclosed
US-7994273-B2 Photoactive materials ROLIC AG (CH) 2011-08-09 US disclosed
US-20100272979-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2010-10-28 US disclosed
US-7750185-B2 Photoactive materials ROLIC AG (CH) 2010-07-06 US disclosed
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked ROLIC AG (CH) 2005-12-29 US disclosed
EP-1525182-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2005-04-27 EP disclosed
WO-2004013086-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2004-02-12 WO disclosed
EP-1386910-A1 Photoactive materials Rolic AG (CH) 2004-02-04 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 (2 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-20110236602-A1 PHOTOACTIVE MATERIALS AOC1, CRY1, CCNA1 CYP2D6 2278/4885EPHX1 2307/4885CA1 614/4885
US-20050288480-A1 Liquid crystals adjustment layers containing diamine compound; polyamic acid or polyimides; crosslinked C9, F12, DAO CYP2D6 4238/4885EPHX1 4737/4885CA1 7/4885

“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.