SCHEMBL865485

SCHEMBL865485

Nc1ccc(CC(Cc2ccc(N)cc2)(C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(F)(F)C(F)F)cc3)cc2)C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(F)(F)C(F)F)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
PKM P14618 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MAOB P27338 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
GRIK1 P39086 1/20 0.32

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
SCHEMBL866596 1.00 KMT2A (0.35) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL866665 0.93 HDAC1 (0.40) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL865646 0.93 HDAC1 (0.40) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL866523 0.88 CA1 (0.46) KMT2AMAPTKDM4ECA12CA1
SCHEMBL2671760 0.87 MAPT (0.41) KMT2AMAPTKDM4ECA1CA2
SCHEMBL867528 0.87 MAOB (0.38) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL865116 0.87 MAOB (0.38) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL866750 0.86 ABCG2 (0.39) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL866205 0.86 ABCG2 (0.39) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL866967 0.85 ABCG2 (0.38) KMT2AF2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10557085-B2 Photoalignment composition ROLIC AG (CH) 2020-02-11 US disclosed
US-20180079961-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2018-03-22 US disclosed
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-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
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
EP-1975687-A1 Method of uniform and defect free liquid crystal aligning layers Rolic AG (CH) 2008-10-01 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP 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 (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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD KMT2A 666/4885F2 175/4885PRSS1 2406/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD KMT2A 666/4885F2 175/4885PRSS1 2406/4885

“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.