SCHEMBL866036

SCHEMBL866036

Nc1cc(N)cc(C(C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc2)C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APP P05067 3/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34
PRSS1 P07477 3/20 0.34
F2 P00734 2/20 0.34
PRSS2 P07478 2/20 0.34

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
SCHEMBL865296 1.00 CYP2D6 (0.39) CYP2D6CA2CA12CA1CA9
SCHEMBL867422 0.93 MAPT (0.36) CYP2D6CA2CA12CA1CA9
SCHEMBL866253 0.93 MAPT (0.36) CYP2D6CA2CA12CA1CA9
SCHEMBL866830 0.88 MAOB (0.39) MAPTKDM4ELMNAMAPK1PRSS1
SCHEMBL866547 0.88 MAOB (0.39) MAPTKDM4ELMNAMAPK1PRSS1
SCHEMBL865673 0.88 LMNA (0.44) CA2CA1MAPTKDM4EAPP
SCHEMBL1565208 0.87 KMT2A (0.47) CA2CA12CA1CA9MAPT
SCHEMBL866260 0.86 PPARA (0.39) MAPTKDM4EAPPPRSS1CYP1A1
SCHEMBL864867 0.86 PPARA (0.39) MAPTKDM4EAPPPRSS1CYP1A1
SCHEMBL865169 0.86 APP (0.37) CYP2D6CA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
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

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 CYP2D6 3376/4885CA2 2945/4885CA12 1753/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CYP2D6 3376/4885CA2 2945/4885CA12 1753/4885

“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.