SCHEMBL867691

SCHEMBL867691

Nc1ccc(C(C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCC(F)(F)F)cc3)cc2)C(O)C(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCC(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.39
CYP1A1 P04798 3/20 0.39
CYP1B1 Q16678 3/20 0.39
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PRSS1 P07477 2/20 0.32
PPARA Q07869 1/20 0.32
ACR P10323 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
F2 P00734 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL865820 1.00 MAOB (0.39) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL866346 0.92 PPARA (0.37) MAOBCYP1A1CYP1B1ABCG2PRSS1
SCHEMBL866960 0.92 PPARA (0.37) MAOBCYP1A1CYP1B1ABCG2PRSS1
SCHEMBL865721 0.91 ABCG2 (0.36) MAOBCYP1A1CYP1B1NPC1SMN1; SMN2
SCHEMBL866672 0.91 ABCG2 (0.36) MAOBCYP1A1CYP1B1NPC1SMN1; SMN2
SCHEMBL865531 0.90 APP (0.37) MAPTKDM4ELMNAMAPK1PRSS1
SCHEMBL865169 0.90 APP (0.37) MAPTKDM4ELMNAMAPK1PRSS1
SCHEMBL865683 0.89 PPARA (0.36) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL866583 0.89 PPARA (0.36) MAOBCYP1A1CYP1B1MAPTKDM4E
SCHEMBL867428 0.88 LMNA (0.41) MAOBCYP1A1CYP1B1MAPTKDM4E

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-104649916-B Photocrosslinkable materials 罗利克有限公司 2020-12-01 CN claimed
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-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 MAOB 286/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885CYP1A1 3056/4885CYP1B1 2893/4885

“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.