SCHEMBL2137348

SCHEMBL2137348

Nc1cc(N)cc(COC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
CA12 O43570 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
GSK3B P49841 2/20 0.38
BACE1 P56817 2/20 0.38
LMNA P02545 2/20 0.37
MET P08581 3/20 0.37
MAOB P27338 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1B1 Q16678 2/20 0.36
TTR P02766 1/20 0.35

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
SCHEMBL1565118 0.92 MAPT (0.40) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL5067125 0.92 MAPT (0.40) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL678505 0.91 MAPT (0.40) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL1565074 0.88 MAPT (0.39) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL2139267 0.87 MAPT (0.37) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL679972 0.87 MAPT (0.39) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL2142087 0.87 CA12 (0.37) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL5069444 0.87 CA12 (0.37) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL1565142 0.87 MAPT (0.42) MAPTKDM4EAKR1B10AKR1B1CA12
SCHEMBL5067160 0.87 MAPT (0.42) MAPTKDM4EAKR1B10AKR1B1CA12

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 3 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-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 MAPT 159/4885KDM4E 2018/4885AKR1B10 2792/4885

“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.