SCHEMBL878560

SCHEMBL878560

COc1cc(C(=O)Oc2ccc(C=CC(=O)OCCCCCCOC(=O)c3cc(N)cc(N)c3)cc2)ccc1OCCCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.45
ABCC1 P33527 4/20 0.45
ABCG2 Q9UNQ0 4/20 0.45
CA12 O43570 7/20 0.44
CA9 Q16790 7/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
ACHE P22303 4/20 0.43
BCHE P06276 3/20 0.43
FDPS P14324 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL866161 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL679266 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866350 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866160 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866349 1.00 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866020 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL866019 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL865791 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL3634797 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9
SCHEMBL19714653 0.98 ABCB1 (0.45) ABCB1ABCC1ABCG2CA12CA9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534191-B1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC TECH AG (CH) 2020-04-15 EP 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
WO-2016156079-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2016-10-06 WO disclosed
US-8557922-B2 Photocrosslinkable materials ROLIC AG (CH) 2013-10-15 US disclosed
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2013-01-03 US disclosed
US-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION ROLIC AG (CH) 2012-12-13 US 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-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
EP-2144951-A1 THERMALLY STABLE ALIGNMENT MATERIALS Rolic AG (CH) 2010-01-20 EP disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
WO-2008135131-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2008-11-13 WO disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO 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 (5 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 ABCB1 4161/4885ABCC1 3575/4885ABCG2 4577/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCB1 4161/4885ABCC1 3575/4885ABCG2 4577/4885
US-20120316317-A1 PHOTOALIGNING MATERIAL WITH LATERAL SUBSTITUTION LATS1, LATS2, LCP1 ABCB1 4227/4885ABCC1 4724/4885ABCG2 4837/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCB1 4161/4885ABCC1 3575/4885ABCG2 4577/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 ABCB1 4042/4885ABCC1 4457/4885ABCG2 3643/4885

“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.