SCHEMBL867372

SCHEMBL867372

Nc1cc(N)cc(C(=O)OCCCCCCCCOC(=O)C=Cc2ccc(OC(=O)c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ABCB1 P08183 4/20 0.39
ABCC1 P33527 4/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
CA12 O43570 7/20 0.39
CA9 Q16790 7/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 4/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 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
SCHEMBL865186 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL867097 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL867096 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL678480 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL865747 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL867371 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL865746 1.00 KDM4E (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL865567 0.99 MAPT (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL865566 0.99 MAPT (0.39) KDM4EMAPTABCB1ABCC1ABCG2
SCHEMBL866229 0.97 MAPT (0.39) KDM4EMAPTCA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 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 (4 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 KDM4E 1831/4885MAPT 295/4885ABCB1 4161/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD KDM4E 1831/4885MAPT 295/4885ABCB1 4161/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD KDM4E 1831/4885MAPT 295/4885ABCB1 4161/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 KDM4E 2018/4885MAPT 159/4885ABCB1 4042/4885

“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.