SCHEMBL866750

SCHEMBL866750

Nc1ccc(CC(Cc2ccc(N)cc2)(C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAOB P27338 2/20 0.37
PPARA Q07869 3/20 0.37
PRSS1 P07477 3/20 0.36
ACR P10323 1/20 0.36
CTSK P43235 1/20 0.35
SAE1 Q9UBE0 1/20 0.35

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
SCHEMBL866205 1.00 ABCG2 (0.39) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL864844 0.97 ABCG2 (0.38) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL866967 0.97 ABCG2 (0.38) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL864941 0.93 CYP1A1 (0.37) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL865887 0.93 CYP1A1 (0.37) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL865116 0.92 MAOB (0.38) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL867528 0.92 MAOB (0.38) ABCG2CYP1A1CYP1B1HDAC3HDAC4
SCHEMBL865471 0.89 MAOB (0.44) MAOBKMT2APKMMEN1RECQL
SCHEMBL865646 0.89 HDAC1 (0.40) HDAC1HDAC8MAOBPRSS1F2
SCHEMBL866665 0.89 HDAC1 (0.40) HDAC1HDAC8MAOBPRSS1F2

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 19 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-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 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
EP-2152660-B1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2016-05-11 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 US disclosed
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2010-02-25 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 (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-10208031-B2 Photocrosslinkable materials comprising alicyclic group DDC, ALAD, DYNC1LI1 ABCG2 3592/4885CYP1A1 2777/4885CYP1B1 2984/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 ABCG2 3592/4885CYP1A1 2777/4885CYP1B1 2984/4885
US-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD ABCG2 4577/4885CYP1A1 3056/4885CYP1B1 2893/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 ABCG2 3643/4885CYP1A1 4764/4885CYP1B1 4620/4885

“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.