SCHEMBL866484

SCHEMBL866484

COc1cc(/C=C/C(=O)C(O)C(Cc2ccc(N)cc2)(Cc2ccc(N)cc2)C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OC(F)(F)F)cc3)c(OC)c2)ccc1OC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.43
APP P05067 6/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TNFRSF1A P19438 1/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MET P08581 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL866523 0.94 CA1 (0.46) CA1CA2MEN1KMT2AKDM4E
SCHEMBL865623 0.91 CA1 (0.46) CA1CA2MEN1KMT2AKDM4E
SCHEMBL867487 0.90 CA1 (0.45) CA1CA2MEN1KMT2AKDM4E
SCHEMBL865569 0.90 MAPT (0.42) CA1CA2MEN1KMT2AKDM4E
SCHEMBL867245 0.89 CA1 (0.44) CA1CA2MEN1KMT2AKDM4E
SCHEMBL866151 0.89 CA1 (0.44) CA1CA2MEN1KMT2AKDM4E
SCHEMBL865646 0.87 HDAC1 (0.40) CA1CA2KMT2AKDM4EAPP
SCHEMBL866665 0.87 HDAC1 (0.40) CA1CA2KMT2AKDM4EAPP
SCHEMBL28663428 0.86 CA1 (0.44) CA1CA2MEN1KMT2AKDM4E
SCHEMBL2671760 0.85 MAPT (0.41) CA1CA2MEN1KMT2AKDM4E

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 15 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
EP-2305631-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 CA1 705/4885CA2 2945/4885MEN1 676/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CA1 705/4885CA2 2945/4885MEN1 676/4885

“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.