SCHEMBL2569561

SCHEMBL2569561

FC(F)(F)CCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HIF1A Q16665 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MGLL Q99685 1/20 0.56
MAOB P27338 3/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LTA4H P09960 2/20 0.50
EPHX2 P34913 1/20 0.50
CHRNB2 P17787 1/20 0.50

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
SCHEMBL6206123 0.87 LTA4H (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28193581 0.85 KCNA3 (0.62) HDAC6MAOBLTA4H
SCHEMBL23577314 0.83 LMNA (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7036584 0.81 MGLL (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9808056 0.81 LMNA (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4340540 0.80 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28566691 0.80 TSHR (0.52) L3MBTL1
SCHEMBL2567562 0.80 LTA4H (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL22809685 0.80 KCNA3 (0.67) HDAC6LTA4H
SCHEMBL339813 0.79 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9097938-B2 Photoaligning material ROLIC AG (CH) 2015-08-04 US disclosed
CN-102858849-B Photoaligning material ROLIC AG 2014-07-09 CN disclosed
EP-2561007-A1 PHOTOALIGNING MATERIAL Rolic AG (CH) 2013-02-27 EP disclosed
US-20130035446-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2013-02-07 US disclosed
CN-102858849-A Photoaligning material ROLIC AG 2013-01-02 CN disclosed
WO-2011131649-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2011-10-27 WO 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-20130035446-A1 PHOTOALIGNING MATERIAL MAP1LC3C, MAP1LC3A, LCP1 LMNA 845/4885CYP1A2 3832/4885PTGS1 3699/4885

“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.