SCHEMBL1563355

SCHEMBL1563355

Nc1cc(N)cc(COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)c(F)c3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.38
CA12 O43570 3/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
CA5A P35218 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
MET P08581 7/20 0.36
CA1 P00915 2/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCG2 Q9UNQ0 1/20 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
SCHEMBL679466 0.90 FDPS (0.44) APPCA12CA4CA9MET
SCHEMBL679940 0.89 ABCG2 (0.41) APPCA12CA4CA6CA5A
SCHEMBL28655556 0.88 APP (0.36) APPCA12CA4CA9MET
SCHEMBL2138852 0.88 APP (0.36) APPCA12CA4CA9MET
SCHEMBL1563300 0.87 CA12 (0.41) CA12CA4CA6CA5ACA7
SCHEMBL14151632 0.84 CA12 (0.38) APPCA12CA4CA6CA5A
SCHEMBL14151631 0.84 CA12 (0.38) APPCA12CA4CA6CA5A
SCHEMBL1565168 0.84 MET (0.46) APPCA12CA4CA6CA5A
SCHEMBL21515171 0.84 APP (0.40) APPMAPTLMNAKDM4EABCG2
SCHEMBL1564818 0.84 ALOX5 (0.37) APPCA12CA4CA6CA5A

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 7 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
EP-2308826-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed
EP-2308827-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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US 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 (1 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 APP 3392/4885CA12 744/4885CA4 727/4885

“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.