SCHEMBL865569

SCHEMBL865569

COc1cc(C(=O)Oc2ccc(/C=C/C(=O)C(O)C(Cc3ccc(N)cc3)(Cc3ccc(N)cc3)C(O)C(=O)/C=C/c3ccc(OC(=O)c4ccc(OC(F)(F)F)c(OC)c4)cc3)cc2)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
TNFRSF1A P19438 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APP P05067 6/20 0.39
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GCGR P47871 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL2671760 0.94 MAPT (0.41) MAPTLMNAMAPK1CA1CA2
SCHEMBL866740 0.90 LMNA (0.41) MAPTLMNAMAPK1CA1CA2
SCHEMBL866484 0.90 CA1 (0.48) MAPTLMNACA1CA2ALDH1A1
SCHEMBL864759 0.90 LMNA (0.41) MAPTLMNAMAPK1CA1CA2
SCHEMBL2672252 0.89 MAPT (0.40) MAPTLMNAMAPK1CA1CA2
SCHEMBL2671493 0.89 MAPT (0.40) MAPTLMNAMAPK1CA1CA2
SCHEMBL865646 0.88 HDAC1 (0.40) MAPTCA1CA2KMT2AKDM4E
SCHEMBL866665 0.88 HDAC1 (0.40) MAPTCA1CA2KMT2AKDM4E
SCHEMBL28649760 0.86 MAPT (0.40) MAPTLMNAMAPK1CA1CA2
SCHEMBL866523 0.84 CA1 (0.46) MAPTLMNACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 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 MAPT 295/4885LMNA 2057/4885MAPK1 1276/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAPT 295/4885LMNA 2057/4885MAPK1 1276/4885

“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.