SCHEMBL867245

SCHEMBL867245

COc1cc(/C=C/C(=O)C(O)C(Cc2ccc(N)cc2)(Cc2ccc(N)cc2)C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCCC(F)(F)F)cc3)c(OC)c2)ccc1OC(=O)c1ccc(OCCCCC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.40
MET P08581 1/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SYK P43405 1/20 0.39
VCP P55072 1/20 0.39
TNFRSF1A P19438 1/20 0.39
APP P05067 3/20 0.38

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
SCHEMBL867487 0.98 CA1 (0.45) CA1CA2KDM4EMEN1KMT2A
SCHEMBL866151 0.92 CA1 (0.44) CA1CA2KDM4EMEN1KMT2A
SCHEMBL865623 0.92 CA1 (0.46) CA1CA2KDM4EMEN1KMT2A
SCHEMBL2671493 0.90 MAPT (0.40) CA1CA2KDM4EMEN1KMT2A
SCHEMBL866484 0.89 CA1 (0.48) CA1CA2KDM4EMEN1KMT2A
SCHEMBL866967 0.88 ABCG2 (0.38) KMT2ALMNASMN1; SMN2
SCHEMBL864844 0.88 ABCG2 (0.38) KMT2ALMNASMN1; SMN2
SCHEMBL28648639 0.88 CA1 (0.41) CA1CA2KDM4EMEN1KMT2A
SCHEMBL864759 0.87 LMNA (0.41) CA1CA2KDM4EMEN1KMT2A
SCHEMBL866523 0.87 CA1 (0.46) CA1CA2KDM4EMEN1KMT2A

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 14 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
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-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-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 CA1 705/4885CA2 2945/4885KDM4E 1831/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CA1 705/4885CA2 2945/4885KDM4E 1831/4885

“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.